N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 625622
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c12n(nnn1)ccc(C(=O)N(CC1OCCC1)C/C=C/c1ccccc1)c2
• Canonical SMILES: O=C(c1ccn2c(c1)nnn2)N(CC1CCCO1)C/C=C/c1ccccc1
• InChI: InChI=1S/C20H21N5O2/c26-20(17-10-12-25-19(14-17)21-22-23-25)24(15-18-9-5-13-27-18)11-4-8-16-6-2-1-3-7-16/h1-4,6-8,10,12,14,18H,5,9,11,13,15H2/b8-4+
• InChIKey: SCELWJGOTQVGFQ-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-(oxolan-2-ylmethyl)-N-[(2E)-3-phenylprop-2-en-1-yl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(2E)-3-phenylprop-2-en-1-yl]-N-(tetrahydrofuran-2-ylmethyl)tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8539028
• LogD (pH = 7.4): 2.8539028
• Log P: 2.8539028
• Molar Refractivity: 116.2085 cm^3
• Polarizability: 38.49711 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.96
• LOG S: -2.67
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 6