3-methyl-8-{[5-(1-methyl-1H-1,3-benzodiazol-2-yl)furan-2-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 858211
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: c1(nc2c(n1C)cccc2)c1oc(cc1)CN1CCC2(OC(=O)N(C2)C)CC1
• Canonical SMILES: O=C1OC2(CN1C)CCN(CC2)Cc1ccc(o1)c1nc2c(n1C)cccc2
• InChI: InChI=1S/C21H24N4O3/c1-23-14-21(28-20(23)26)9-11-25(12-10-21)13-15-7-8-18(27-15)19-22-16-5-3-4-6-17(16)24(19)2/h3-8H,9-14H2,1-2H3
• InChIKey: NNAWEVCGOKOIFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-8-{[5-(1-methyl-1H-1,3-benzodiazol-2-yl)furan-2-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-methyl-8-{[5-(1-methyl-1,3-benzodiazol-2-yl)furan-2-yl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-methyl-8-{[5-(1-methyl-1H-benzimidazol-2-yl)-2-furyl]methyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6033737
• LogD (pH = 7.4): 1.1772231
• Log P: 2.0548303
• Molar Refractivity: 115.0444 cm^3
• Polarizability: 42.090622 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.45
• LOG S: -3.06
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 3