8-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 558644
• Molecular Formular: C19H24N2O5
• Molecular Mass: 360.40426
• Monoisotopic Mass: 360.16852188
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)C1Cc3c(OC1)c(OC)ccc3)CC2)C
• Canonical SMILES: COc1cccc2c1OCC(C2)C(=O)N1CCC2(CC1)OC(=O)N(C2)C
• InChI: InChI=1S/C19H24N2O5/c1-20-12-19(26-18(20)23)6-8-21(9-7-19)17(22)14-10-13-4-3-5-15(24-2)16(13)25-11-14/h3-5,14H,6-12H2,1-2H3
• InChIKey: AYRUUDPOGXYMES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)carbonyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7866572
• LogD (pH = 7.4): 0.78665733
• Log P: 0.78665733
• Molar Refractivity: 93.863 cm^3
• Polarizability: 36.60442 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.77
• LOG S: -3.34
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 2