N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 590017
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: c12n(nnn1)ccc(C(=O)N(CC(c1ccccc1)O)C1CCCCC1)c2
• Canonical SMILES: O=C(N(C1CCCCC1)CC(c1ccccc1)O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C20H23N5O2/c26-18(15-7-3-1-4-8-15)14-24(17-9-5-2-6-10-17)20(27)16-11-12-25-19(13-16)21-22-23-25/h1,3-4,7-8,11-13,17-18,26H,2,5-6,9-10,14H2
• InChIKey: QZQDCOLPSCYIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-cyclohexyl-N-(2-hydroxy-2-phenylethyl)tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.091377
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9943335
• LogD (pH = 7.4): 2.9943337
• Log P: 2.9943337
• Molar Refractivity: 114.6119 cm^3
• Polarizability: 38.592728 Å^3
• Polar Surface Area: 83.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.8
• LOG S: -3.4
• Polar Surface Area: 83.62 Å^2
• Rotatable Bonds: 5