(2R)-2-[5-(4-methyl-2-oxo-2H-chromen-7-yl)-4-phenyl-1H-imidazol-1-yl]propanamide

• ChemBase ID: 560661
• Molecular Formular: C22H19N3O3
• Molecular Mass: 373.40456
• Monoisotopic Mass: 373.14264148
• SMILES: n1(c(c(nc1)c1ccccc1)c1cc2oc(=O)cc(c2cc1)C)[C@@H](C(=O)N)C
• Canonical SMILES: NC(=O)[C@H](n1cnc(c1c1ccc2c(c1)oc(=O)cc2C)c1ccccc1)C
• InChI: InChI=1S/C22H19N3O3/c1-13-10-19(26)28-18-11-16(8-9-17(13)18)21-20(15-6-4-3-5-7-15)24-12-25(21)14(2)22(23)27/h3-12,14H,1-2H3,(H2,23,27)/t14-/m1/s1
• InChIKey: LWFWVQQDSONEEQ-CQSZACIVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[5-(4-methyl-2-oxo-2H-chromen-7-yl)-4-phenyl-1H-imidazol-1-yl]propanamide
• IUPAC Traditional name: (2R)-2-[5-(4-methyl-2-oxochromen-7-yl)-4-phenylimidazol-1-yl]propanamide
• Synonyms: (2R)-2-[5-(4-methyl-2-oxo-2H-chromen-7-yl)-4-phenyl-1H-imidazol-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.641513
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8259175
• LogD (pH = 7.4): 3.0246463
• Log P: 3.0280674
• Molar Refractivity: 105.8607 cm^3
• Polarizability: 43.008266 Å^3
• Polar Surface Area: 87.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.31
• LOG S: -3.9
• Polar Surface Area: 91.12 Å^2
• Rotatable Bonds: 4