8-[2-(2H-1,2,3-benzotriazol-2-yl)acetyl]-1-(benzyloxy)-1,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 551927
• Molecular Formular: C23H25N5O3
• Molecular Mass: 419.4763
• Monoisotopic Mass: 419.19573969
• SMILES: n1(nc2c(n1)cccc2)CC(=O)N1CCC2(N(C(=O)CC2)OCc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC2(CC1)CCC(=O)N2OCc1ccccc1)Cn1nc2c(n1)cccc2
• InChI: InChI=1S/C23H25N5O3/c29-21-10-11-23(28(21)31-17-18-6-2-1-3-7-18)12-14-26(15-13-23)22(30)16-27-24-19-8-4-5-9-20(19)25-27/h1-9H,10-17H2
• InChIKey: BCAPFMKYALIDRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[2-(2H-1,2,3-benzotriazol-2-yl)acetyl]-1-(benzyloxy)-1,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-[2-(1,2,3-benzotriazol-2-yl)acetyl]-1-(benzyloxy)-1,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(2H-1,2,3-benzotriazol-2-ylacetyl)-1-(benzyloxy)-1,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8850238
• LogD (pH = 7.4): 1.8850242
• Log P: 1.8850242
• Molar Refractivity: 125.7664 cm^3
• Polarizability: 45.26512 Å^3
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.74
• LOG S: -4.6
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 5