N-cyclopropyl-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide

• ChemBase ID: 406251
• Molecular Formular: C18H19N5OS
• Molecular Mass: 353.44136
• Monoisotopic Mass: 353.13103125
• SMILES: n1(nnnc1C)c1cc(C(=O)N(Cc2c(ccs2)C)C2CC2)ccc1
• Canonical SMILES: O=C(N(C1CC1)Cc1sccc1C)c1cccc(c1)n1nnnc1C
• InChI: InChI=1S/C18H19N5OS/c1-12-8-9-25-17(12)11-22(15-6-7-15)18(24)14-4-3-5-16(10-14)23-13(2)19-20-21-23/h3-5,8-10,15H,6-7,11H2,1-2H3
• InChIKey: KFKIDSRFGDLYHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-(5-methyl-1H-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
• IUPAC Traditional name: N-cyclopropyl-3-(5-methyl-1,2,3,4-tetrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
• Synonyms: N-cyclopropyl-3-(5-methyl-1H-tetrazol-1-yl)-N-[(3-methyl-2-thienyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0480673
• LogD (pH = 7.4): 3.0480678
• Log P: 3.0480678
• Molar Refractivity: 100.0603 cm^3
• Polarizability: 36.904526 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.9
• LOG S: -3.4
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 5