N-(cyclopropylmethyl)-3-(4-methylphenyl)-N-propyl-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide

• ChemBase ID: 770637
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: n1(nnnc1)c1cc(C(=O)N(CC2CC2)CCC)cc(c1)c1ccc(cc1)C
• Canonical SMILES: CCCN(C(=O)c1cc(cc(c1)n1cnnn1)c1ccc(cc1)C)CC1CC1
• InChI: InChI=1S/C22H25N5O/c1-3-10-26(14-17-6-7-17)22(28)20-11-19(18-8-4-16(2)5-9-18)12-21(13-20)27-15-23-24-25-27/h4-5,8-9,11-13,15,17H,3,6-7,10,14H2,1-2H3
• InChIKey: XYLCNXVFVNCKGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-3-(4-methylphenyl)-N-propyl-5-(1H-1,2,3,4-tetrazol-1-yl)benzamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-3-(4-methylphenyl)-N-propyl-5-(1,2,3,4-tetrazol-1-yl)benzamide
• Synonyms: N-(cyclopropylmethyl)-4'-methyl-N-propyl-5-(1H-tetrazol-1-yl)-3-biphenylcarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1292167
• LogD (pH = 7.4): 4.129217
• Log P: 4.129217
• Molar Refractivity: 113.2567 cm^3
• Polarizability: 43.38208 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.18
• LOG S: -5.37
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5