7-(cyclobutylmethyl)-6-oxo-N-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 523461
• Molecular Formular: C19H27N3O2S
• Molecular Mass: 361.50158
• Monoisotopic Mass: 361.18239812
• SMILES: C12(C(=O)N(CC3CCC3)CCC2)CN(C(=O)NCc2sccc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CCC1)NCc1cccs1
• InChI: InChI=1S/C19H27N3O2S/c23-17-19(7-3-9-21(17)13-15-4-1-5-15)8-10-22(14-19)18(24)20-12-16-6-2-11-25-16/h2,6,11,15H,1,3-5,7-10,12-14H2,(H,20,24)
• InChIKey: NSUSXJRBFISEDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-6-oxo-N-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: 7-(cyclobutylmethyl)-6-oxo-N-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: 7-(cyclobutylmethyl)-6-oxo-N-(2-thienylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.989311
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1216025
• LogD (pH = 7.4): 2.1216037
• Log P: 2.1216037
• Molar Refractivity: 98.4911 cm^3
• Polarizability: 37.99401 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.46
• LOG S: -3.94
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4