7-(3-phenylpropyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 852361
• Molecular Formular: C22H26N2O2S
• Molecular Mass: 382.51904
• Monoisotopic Mass: 382.17149908
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(C(=O)c2sccc2)CC1
• Canonical SMILES: O=C1N(CCCc2ccccc2)CCCC21CCN(C2)C(=O)c1cccs1
• InChI: InChI=1S/C22H26N2O2S/c25-20(19-10-5-16-27-19)24-15-12-22(17-24)11-6-14-23(21(22)26)13-4-9-18-7-2-1-3-8-18/h1-3,5,7-8,10,16H,4,6,9,11-15,17H2
• InChIKey: FVNNRRKGVCRFBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(3-phenylpropyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(3-phenylpropyl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(3-phenylpropyl)-2-(2-thienylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.593731
• LogD (pH = 7.4): 3.5937316
• Log P: 3.5937316
• Molar Refractivity: 108.4012 cm^3
• Polarizability: 41.431767 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -4.91
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5