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

• ChemBase ID: 323283
• Molecular Formular: C21H30N2O2S
• Molecular Mass: 374.5401
• Monoisotopic Mass: 374.20279921
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)c2sccc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cccs1)CCC1CCCCC1
• InChI: InChI=1S/C21H30N2O2S/c24-19(18-8-4-15-26-18)23-14-11-21(16-23)10-5-12-22(20(21)25)13-9-17-6-2-1-3-7-17/h4,8,15,17H,1-3,5-7,9-14,16H2
• InChIKey: LTCMUHPVAOQORD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6169262
• LogD (pH = 7.4): 3.616927
• Log P: 3.616927
• Molar Refractivity: 104.8556 cm^3
• Polarizability: 40.32587 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.57
• LOG S: -4.77
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4