Avanafil

(S)-2-(2-Hydroxymethyl-1-pyrrolidinyl)-4-(3-chloro-4-methoxybenzylamino)-5-[N-(2-pyrimidinylmethyl)carbamoyl]pyrimidine (S)-4-((3-Chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)-N-(pyrimidin-2-yl (S)-4-((3-Chloro-4-Methoxybenzyl)aMino)-2-(2-(hydroxyMethyl)pyrrolidin-1-yl)-N-(pyriMidin-2-ylMethyl)pyriMidine-5-carboxaMide (S)-4-[(3-Chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide (S)-4-[(3-Chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2pyrimidinylmethyl)-5-pyrimidinecarboxamide 4-((3-chloro-4-Methoxybenzyl)aMino)-2-(2-(hydroxyMethyl)pyrrolidin-1-yl)-N-(pyriMidin-2-ylMethyl)pyriMidine-5-carboxaMide 4-[(3-Chloro-4-methoxybenzyl)amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide 4-[[(3-Chloro-4-Methoxyphenyl)Methyl]aMino]-2-[(2S)-2-(hydroxyMethyl)-1-pyrrolidinyl]-N-(2-pyriMidinylMethyl)-5-pyriMidinecarboxaMide 5-Pyrimidinecarboxamide, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)- Avanafil 4-[(3-Chloro-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide Avanafil PDE5 inhibitor avanfil Spedra Stendra TA 1790 TA-1790 vanafil

The Avanafil with the CAS number 330784-47-9 is also called 5-Pyrimidinecarboxamide,4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-. The IUPAC name is 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide. Its molecular formula is C₂₃H₂₆ClN₇O₃. The classification code is?Treatment of erectile dysfunction.

The properties of the Avanafil are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 124; (9)#H bond acceptors: 10; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 125.39??²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 128.832 cm³; (15)Molar Volume: 352.588 cm³; (16)Polarizability: 51.073×10^-24cm³; (17)Surface Tension: 69.965 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(OC)ccc(c1)CNc3nc(ncc3C(=O)NCc2ncccn2)N4[C@@H](CCC4)CO
(2)InChI: InChI=1/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1
(3)InChIKey: WEAJZXNPAWBCOA-INIZCTEOBD