2-(2-cyclopropylacetyl)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 527889
• Molecular Formular: C22H30N2O4
• Molecular Mass: 386.4846
• Monoisotopic Mass: 386.22055745
• SMILES: C12(C(=O)N(Cc3c(c(OC)ccc3)OC)CCC2)CN(C(=O)CC2CC2)CC1
• Canonical SMILES: COc1c(cccc1OC)CN1CCCC2(C1=O)CCN(C2)C(=O)CC1CC1
• InChI: InChI=1S/C22H30N2O4/c1-27-18-6-3-5-17(20(18)28-2)14-23-11-4-9-22(21(23)26)10-12-24(15-22)19(25)13-16-7-8-16/h3,5-6,16H,4,7-15H2,1-2H3
• InChIKey: DEMWKBUZZBINSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclopropylacetyl)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-cyclopropylacetyl)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cyclopropylacetyl)-7-(2,3-dimethoxybenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7465007
• LogD (pH = 7.4): 1.7465011
• Log P: 1.7465011
• Molar Refractivity: 106.3855 cm^3
• Polarizability: 41.38832 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: 4
• H Donor: 0
• Log P: 1.28
• LOG S: -2.99
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4