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Home> Hot Product Listed 6   > 6,7,9,10,11,12-Hexahydrobenzo[f]cyclopenta[a]quinolizine-6,7,7a,8,9,10(8H)-hexacarboxylic acid hexam...
1219902-87-0 structure

6,7,9,10,11,12-Hexahydrobenzo[f]cyclopenta[a]quinolizine-6,7,7a,8,9,10(8H)-hexacarboxylic acid hexamethyl ester

Iupac Name:N-[5-(furan-2-yl)-2-(2-hydroxyethyl)pyrazol-3-yl]-1,3-benzothiazole-2-carboxamide
CAS No.:1219902-87-0
Molecular Weight:354.384
Molecular Formula:C23H21N3O8 (isomer)
Names and Identifiers
Synonyms

benzo[f]cyclopenta[a]quinolizine-6,7,7a,8,9,10(8h)-hexacarboxylic acid, 6,7,9,10,11,12-hexahydro-, hexamethyl ester hexamethyl 6,7,9,10,11,12-hexahydrocyclopenta[3,4]pyrido[1,2-a]quinoline-6,7,7a,8,9,10(8h)-hexacarboxylate # WOGWTNKWPKPTKD-UHFFFAOYSA-N

Inchi
InChI=1S/C17H14N4O3S/c22-8-7-21-15(10-12(20-21)13-5-3-9-24-13)19-16(23)17-18-11-4-1-2-6-14(11)25-17/h1-6,9-10,22H,7-8H2,(H,19,23)
InChkey
PAJJFAQRVSNTMW-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)N=C(S2)C(=O)NC3=CC(=NN3CCO)C4=CC=CO4
Properties
Boiling Point
390.902°C at 760 mmHg
Computational chemical data
  • Molecular Weight:354.384g/mol
  • Molecular Formula:C23H21N3O8
  • Compound Is Canonicalized:True
  • Exact Mass:354.079
  • Monoisotopic Mass:354.079
  • Complexity:483
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:121A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7sABAAAAAAAAAAAAAAAAAAWLEgAAwAAAAAAAAAFgB/gAAHgQYCAAACAzh1gYx9bLIFkiu Aa9y9AST/KNnqjhd2D2+bNiOdrLk/fuXvSj83RP46Ye82SGQAAAAAAAAAQAAAAAAAAACAAAAAAAA AA==
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