2-[(4-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 424915
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: C12(C(=O)N(Cc3cnccc3)CCC2)CN(Cc2ccc(cc2)OCC)CC1
• Canonical SMILES: CCOc1ccc(cc1)CN1CCC2(C1)CCCN(C2=O)Cc1cccnc1
• InChI: InChI=1S/C23H29N3O2/c1-2-28-21-8-6-19(7-9-21)16-25-14-11-23(18-25)10-4-13-26(22(23)27)17-20-5-3-12-24-15-20/h3,5-9,12,15H,2,4,10-11,13-14,16-18H2,1H3
• InChIKey: RLSZECFMUPEUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(4-ethoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(4-ethoxybenzyl)-7-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8427778
• LogD (pH = 7.4): 0.59864724
• Log P: 2.572489
• Molar Refractivity: 110.8811 cm^3
• Polarizability: 43.073414 Å^3
• Polar Surface Area: 45.67 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: 2.54
• LOG S: -2.67
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 4