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

• ChemBase ID: 678875
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: C12(C(=O)N(Cc3c(c(OC)ccc3)OC)CCC2)CN(Cc2ncccc2)CC1
• Canonical SMILES: COc1c(cccc1OC)CN1CCCC2(C1=O)CCN(C2)Cc1ccccn1
• InChI: InChI=1S/C23H29N3O3/c1-28-20-9-5-7-18(21(20)29-2)15-26-13-6-10-23(22(26)27)11-14-25(17-23)16-19-8-3-4-12-24-19/h3-5,7-9,12H,6,10-11,13-17H2,1-2H3
• InChIKey: SIIYHYBXCTXFAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.6284566
• LogD (pH = 7.4): 1.1387527
• Log P: 2.1394818
• Molar Refractivity: 112.0735 cm^3
• Polarizability: 43.747154 Å^3
• Polar Surface Area: 54.9 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: 1.75
• LOG S: -2.37
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 4