N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-3-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 816846
• Molecular Formular: C27H32N2O3S
• Molecular Mass: 464.61958
• Monoisotopic Mass: 464.21336389
• SMILES: C(=O)(c1c(ccs1)C)N(Cc1cc(c(OC2CCCCCC2)cc1)OC)Cc1ncccc1
• Canonical SMILES: COc1cc(ccc1OC1CCCCCC1)CN(C(=O)c1sccc1C)Cc1ccccn1
• InChI: InChI=1S/C27H32N2O3S/c1-20-14-16-33-26(20)27(30)29(19-22-9-7-8-15-28-22)18-21-12-13-24(25(17-21)31-2)32-23-10-5-3-4-6-11-23/h7-9,12-17,23H,3-6,10-11,18-19H2,1-2H3
• InChIKey: JPTAPSGYLRUWJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-3-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-{[4-(cycloheptyloxy)-3-methoxyphenyl]methyl}-3-methyl-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
• Synonyms: N-[4-(cycloheptyloxy)-3-methoxybenzyl]-3-methyl-N-(2-pyridinylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.9211245
• LogD (pH = 7.4): 5.938556
• Log P: 5.938783
• Molar Refractivity: 131.9486 cm^3
• Polarizability: 50.90867 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.97
• LOG S: -6.68
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7