1-(4-methoxyphenyl)-2,2-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)cyclopropane-1-carboxamide

• ChemBase ID: 731458
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: C1(C(C1)(C)C)(C(=O)NCc1nnn[nH]1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(CC1(C)C)C(=O)NCc1nnn[nH]1
• InChI: InChI=1S/C15H19N5O2/c1-14(2)9-15(14,10-4-6-11(22-3)7-5-10)13(21)16-8-12-17-19-20-18-12/h4-7H,8-9H2,1-3H3,(H,16,21)(H,17,18,19,20)
• InChIKey: XGWONGITDRAZJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-2,2-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-methoxyphenyl)-2,2-dimethyl-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-methoxyphenyl)-2,2-dimethyl-N-(1H-tetrazol-5-ylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.1133018
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.055418927
• LogD (pH = 7.4): -0.45705757
• Log P: 1.1458266
• Molar Refractivity: 83.0449 cm^3
• Polarizability: 30.904932 Å^3
• Polar Surface Area: 92.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.95
• LOG S: -2.21
• Polar Surface Area: 92.79 Å^2
• Rotatable Bonds: 5