7-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 719932
• Molecular Formular: C20H24N2O4
• Molecular Mass: 356.41556
• Monoisotopic Mass: 356.17360726
• SMILES: c12c(c(co1)CC(=O)N1CC3(OC(=O)NC3)CCC1)c(cc(c2C)C)C
• Canonical SMILES: O=C1NCC2(O1)CCCN(C2)C(=O)Cc1coc2c1c(C)cc(c2C)C
• InChI: InChI=1S/C20H24N2O4/c1-12-7-13(2)17-15(9-25-18(17)14(12)3)8-16(23)22-6-4-5-20(11-22)10-21-19(24)26-20/h7,9H,4-6,8,10-11H2,1-3H3,(H,21,24)
• InChIKey: AAOYDZHJMKIKAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[2-(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[(4,6,7-trimethyl-1-benzofuran-3-yl)acetyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.6701565
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8097534
• LogD (pH = 7.4): 2.8097513
• Log P: 2.8097534
• Molar Refractivity: 97.0949 cm^3
• Polarizability: 38.22283 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.41
• LOG S: -4.71
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 2