4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(1r,4r)-4-(4H-1,2,4-triazol-4-yl)cyclohexyl]benzamide

• ChemBase ID: 642797
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)N[C@@H]2CC[C@@H](n3cnnc3)CC2)ccc1C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)N[C@@H]1CC[C@H](CC1)n1cnnc1
• InChI: InChI=1S/C19H24N6O2/c1-13-2-3-14(10-17(13)25-9-8-20-19(25)27)18(26)23-15-4-6-16(7-5-15)24-11-21-22-12-24/h2-3,10-12,15-16H,4-9H2,1H3,(H,20,27)(H,23,26)/t15-,16-
• InChIKey: KFWUOGQXKOFVJV-WKILWMFISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(1r,4r)-4-(4H-1,2,4-triazol-4-yl)cyclohexyl]benzamide
• IUPAC Traditional name: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(1r,4r)-4-(1,2,4-triazol-4-yl)cyclohexyl]benzamide
• Synonyms: 4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[trans-4-(4H-1,2,4-triazol-4-yl)cyclohexyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.902749
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.43023252
• LogD (pH = 7.4): 0.43049154
• Log P: 0.43049487
• Molar Refractivity: 103.2057 cm^3
• Polarizability: 37.8634 Å^3
• Polar Surface Area: 92.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.1
• LOG S: -3.11
• Polar Surface Area: 92.15 Å^2
• Rotatable Bonds: 4