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AKOS000266503 structure
AKOS000266503 structure

AKOS000266503

CAS No.: 651031-01-5
Molecular Weight:491.39
Modify Date.: 2022-05-18 15:19
1. Names and Identifiers
1.1 Name
AKOS000266503
1.2 Synonyms

3-[6-(3-methoxyphenoxy)pyridazin-3-yl]benzoic acid ALBB-019379 benzoic acid, 3-[6-(3-methoxyphenoxy)-3-pyridazinyl]- BG01611494 mfcd14281616 MOLPORT-015-136-635 ZINC32918500 zx-an035089

1.3 CAS No.
651031-01-5
1.4 Molecular Formula
C19H21N3O3 (isomer)
1.5 Inchi
InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14+,15-
1.7 Canonical Smiles
COC1=C(OCC2CC3C(CN(C)C3)C2)C=C4C(=C1)C(=NC=N4)NC5C(F)=C(Cl)C(Cl)=CC=5
1.8 Isomers Smiles
CN1C[C@@]2([H])[C@@]([H])(C1)C[C@]([H])(COC1=C(OC)C=C3C(NC4=C(F)C(Cl)=C(Cl)C=C4)=NC=NC3=C1)C2
2. Properties
3.1 Refractive index
1.633
3.1 Precise Quality
490.133850
3.1 PSA
59.51
3.1 logP
5.98
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