(2R)-N-[2-(1H-1,3-benzodiazole-1-carbonyl)phenyl]oxolane-2-carboxamide

• ChemBase ID: 824959
• Molecular Formular: C19H17N3O3
• Molecular Mass: 335.35658
• Monoisotopic Mass: 335.12699142
• SMILES: n1(C(=O)c2c(NC(=O)[C@@H]3OCCC3)cccc2)cnc2c1cccc2
• Canonical SMILES: O=C([C@H]1CCCO1)Nc1ccccc1C(=O)n1cnc2c1cccc2
• InChI: InChI=1S/C19H17N3O3/c23-18(17-10-5-11-25-17)21-14-7-2-1-6-13(14)19(24)22-12-20-15-8-3-4-9-16(15)22/h1-4,6-9,12,17H,5,10-11H2,(H,21,23)/t17-/m1/s1
• InChIKey: UGPJSCRPAPOFCO-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-[2-(1H-1,3-benzodiazole-1-carbonyl)phenyl]oxolane-2-carboxamide
• IUPAC Traditional name: (2R)-N-[2-(1,3-benzodiazole-1-carbonyl)phenyl]oxolane-2-carboxamide
• Synonyms: (2R)-N-[2-(1H-benzimidazol-1-ylcarbonyl)phenyl]tetrahydrofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.596392
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.114764
• LogD (pH = 7.4): 2.114803
• Log P: 2.11483
• Molar Refractivity: 93.512 cm^3
• Polarizability: 36.478638 Å^3
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.8
• LOG S: -3.19
• Polar Surface Area: 73.22 Å^2
• Rotatable Bonds: 3