ethyl 2-[7-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]acetate

• ChemBase ID: 632457
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: C(=O)(N1CC2(CN(CC(=O)OCC)CC2)CCC1)c1c(OC)cccc1
• Canonical SMILES: CCOC(=O)CN1CCC2(C1)CCCN(C2)C(=O)c1ccccc1OC
• InChI: InChI=1S/C20H28N2O4/c1-3-26-18(23)13-21-12-10-20(14-21)9-6-11-22(15-20)19(24)16-7-4-5-8-17(16)25-2/h4-5,7-8H,3,6,9-15H2,1-2H3
• InChIKey: QSGOZHKACCJXQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-[7-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]acetate
• IUPAC Traditional name: ethyl 2-[7-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]decan-2-yl]acetate
• Synonyms: ethyl [7-(2-methoxybenzoyl)-2,7-diazaspiro[4.5]dec-2-yl]acetate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.32146123
• LogD (pH = 7.4): 1.5443089
• Log P: 1.6420346
• Molar Refractivity: 99.7769 cm^3
• Polarizability: 38.62474 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.26
• LOG S: -3.76
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6