N-[(3R,4S)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(propan-2-yl)pyrrolidin-3-yl]cyclobutanecarboxamide

• ChemBase ID: 326550
• Molecular Formular: C19H32N4O2
• Molecular Mass: 348.48298
• Monoisotopic Mass: 348.25252628
• SMILES: c1(n(cnc1)CCOC)CN1C[C@@H]([C@@H](NC(=O)C2CCC2)C1)C(C)C
• Canonical SMILES: COCCn1cncc1CN1C[C@@H]([C@H](C1)NC(=O)C1CCC1)C(C)C
• InChI: InChI=1S/C19H32N4O2/c1-14(2)17-11-22(10-16-9-20-13-23(16)7-8-25-3)12-18(17)21-19(24)15-5-4-6-15/h9,13-15,17-18H,4-8,10-12H2,1-3H3,(H,21,24)/t17-,18+/m1/s1
• InChIKey: UPPYYXMREFJOSN-MSOLQXFVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4S)-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-4-(propan-2-yl)pyrrolidin-3-yl]cyclobutanecarboxamide
• IUPAC Traditional name: N-[(3R,4S)-4-isopropyl-1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}pyrrolidin-3-yl]cyclobutanecarboxamide
• Synonyms: N-((3R*,4S*)-4-isopropyl-1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-3-pyrrolidinyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.513421
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.79859763
• LogD (pH = 7.4): 0.77769303
• Log P: 1.2982152
• Molar Refractivity: 98.8996 cm^3
• Polarizability: 38.496147 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.32
• LOG S: -3.32
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8