9-ethyl-1-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one

• ChemBase ID: 713915
• Molecular Formular: C24H33N3O
• Molecular Mass: 379.53832
• Monoisotopic Mass: 379.26236269
• SMILES: C12(N(CCN(C1)Cc1c3c(c(cc1)C)cccc3)C)CCN(C(=O)CC2)CC
• Canonical SMILES: CCN1CCC2(CCC1=O)CN(CCN2C)Cc1ccc(c2c1cccc2)C
• InChI: InChI=1S/C24H33N3O/c1-4-27-14-13-24(12-11-23(27)28)18-26(16-15-25(24)3)17-20-10-9-19(2)21-7-5-6-8-22(20)21/h5-10H,4,11-18H2,1-3H3
• InChIKey: QWRQQZFFJGTBBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-1-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
• IUPAC Traditional name: 9-ethyl-1-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
• Synonyms: 9-ethyl-1-methyl-4-[(4-methyl-1-naphthyl)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.21036266
• LogD (pH = 7.4): 1.196326
• Log P: 3.1375055
• Molar Refractivity: 116.5016 cm^3
• Polarizability: 46.41487 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.5
• LOG S: -4.96
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 3