N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 358595
• Molecular Formular: C20H25FN4O2
• Molecular Mass: 372.4365032
• Monoisotopic Mass: 372.19615428
• SMILES: c1(nnn(c1)Cc1ccc(F)cc1)C(=O)N(CC1OCCC1)CC1CCC1
• Canonical SMILES: Fc1ccc(cc1)Cn1nnc(c1)C(=O)N(CC1CCCO1)CC1CCC1
• InChI: InChI=1S/C20H25FN4O2/c21-17-8-6-16(7-9-17)12-25-14-19(22-23-25)20(26)24(11-15-3-1-4-15)13-18-5-2-10-27-18/h6-9,14-15,18H,1-5,10-13H2
• InChIKey: UKRUCCVIUMFEBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-(cyclobutylmethyl)-1-[(4-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-1,2,3-triazole-4-carboxamide
• Synonyms: N-(cyclobutylmethyl)-1-(4-fluorobenzyl)-N-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.2149827
• LogD (pH = 7.4): 3.2149827
• Log P: 3.2149827
• Molar Refractivity: 111.4449 cm^3
• Polarizability: 37.81562 Å^3
• Polar Surface Area: 60.25 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: 2.71
• LOG S: -4.1
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 7