N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

• ChemBase ID: 782575
• Molecular Formular: C19H24N4O5
• Molecular Mass: 388.41766
• Monoisotopic Mass: 388.17466989
• SMILES: N1(C(=O)C(Oc2c1cc(NC(=O)N1CCC(N3C(=O)OCC3)CC1)cc2)C)C
• Canonical SMILES: O=C(N1CCC(CC1)N1CCOC1=O)Nc1ccc2c(c1)N(C)C(=O)C(O2)C
• InChI: InChI=1S/C19H24N4O5/c1-12-17(24)21(2)15-11-13(3-4-16(15)28-12)20-18(25)22-7-5-14(6-8-22)23-9-10-27-19(23)26/h3-4,11-12,14H,5-10H2,1-2H3,(H,20,25)
• InChIKey: WPGNOSICUOUHBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,4-dimethyl-3-oxo-2H-1,4-benzoxazin-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• Synonyms: N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.685649
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24042787
• LogD (pH = 7.4): 0.24042766
• Log P: 0.24042787
• Molar Refractivity: 101.1449 cm^3
• Polarizability: 38.297783 Å^3
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.59
• LOG S: -2.54
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 2