7-(2,2-dimethylpropyl)-2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 757371
• Molecular Formular: C23H36N4
• Molecular Mass: 368.55874
• Monoisotopic Mass: 368.29399717
• SMILES: c1(nc2c(n1CC)cccc2)CN1CC2(CN(CC(C)(C)C)CCC2)CC1
• Canonical SMILES: CCn1c(CN2CCC3(C2)CCCN(C3)CC(C)(C)C)nc2c1cccc2
• InChI: InChI=1S/C23H36N4/c1-5-27-20-10-7-6-9-19(20)24-21(27)15-25-14-12-23(17-25)11-8-13-26(18-23)16-22(2,3)4/h6-7,9-10H,5,8,11-18H2,1-4H3
• InChIKey: QZPLYSFKKDDOCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-dimethylpropyl)-2-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2-[(1-ethyl-1,3-benzodiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,2-dimethylpropyl)-2-[(1-ethyl-1H-benzimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5434612
• LogD (pH = 7.4): 1.1973324
• Log P: 4.0246377
• Molar Refractivity: 113.4074 cm^3
• Polarizability: 45.70995 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.72
• LOG S: -2.81
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4