(4aS,8aR)-6-[3-(furan-2-yl)propanoyl]-1-(3-methoxypropyl)-decahydro-1,6-naphthyridin-2-one

• ChemBase ID: 718530
• Molecular Formular: C19H28N2O4
• Molecular Mass: 348.43662
• Monoisotopic Mass: 348.20490739
• SMILES: N1([C@H]2[C@H](CN(C(=O)CCc3occc3)CC2)CCC1=O)CCCOC
• Canonical SMILES: COCCCN1C(=O)CC[C@@H]2[C@H]1CCN(C2)C(=O)CCc1ccco1
• InChI: InChI=1S/C19H28N2O4/c1-24-12-3-10-21-17-9-11-20(14-15(17)5-7-19(21)23)18(22)8-6-16-4-2-13-25-16/h2,4,13,15,17H,3,5-12,14H2,1H3/t15-,17+/m0/s1
• InChIKey: GNRXFIDRZOZPTF-DOTOQJQBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4aS,8aR)-6-[3-(furan-2-yl)propanoyl]-1-(3-methoxypropyl)-decahydro-1,6-naphthyridin-2-one
• IUPAC Traditional name: (4aS,8aR)-6-[3-(furan-2-yl)propanoyl]-1-(3-methoxypropyl)-hexahydro-3H-1,6-naphthyridin-2-one
• Synonyms: (4aS*,8aR*)-6-[3-(2-furyl)propanoyl]-1-(3-methoxypropyl)octahydro-1,6-naphthyridin-2(1H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.13856035
• LogD (pH = 7.4): 0.138561
• Log P: 0.13856101
• Molar Refractivity: 94.3984 cm^3
• Polarizability: 36.50159 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.43
• LOG S: -2.96
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 7