7-(2-methoxyethyl)-2-(2-methyl-1,3-benzoxazole-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 446530
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)c2cc3oc(nc3cc2)C)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1ccc2c(c1)oc(n2)C
• InChI: InChI=1S/C20H25N3O4/c1-14-21-16-5-4-15(12-17(16)27-14)18(24)23-9-7-20(13-23)6-3-8-22(19(20)25)10-11-26-2/h4-5,12H,3,6-11,13H2,1-2H3
• InChIKey: IWLIFTBAXCFXMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(2-methyl-1,3-benzoxazole-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(2-methyl-1,3-benzoxazole-6-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-[(2-methyl-1,3-benzoxazol-6-yl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6458499
• LogD (pH = 7.4): 0.645856
• Log P: 0.6458561
• Molar Refractivity: 99.692 cm^3
• Polarizability: 39.141163 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.12
• LOG S: -3.32
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 4