N-[3-(cyclohexylsulfanyl)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 787864
• Molecular Formular: C19H27N3O2S
• Molecular Mass: 361.50158
• Monoisotopic Mass: 361.18239812
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCCCSC2CCCCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)NCCCSC1CCCCC1
• InChI: InChI=1S/C19H27N3O2S/c23-18(20-10-5-13-25-17-8-2-1-3-9-17)15-6-4-7-16(14-15)22-12-11-21-19(22)24/h4,6-7,14,17H,1-3,5,8-13H2,(H,20,23)(H,21,24)
• InChIKey: JZFPCAMQGXYQBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclohexylsulfanyl)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[3-(cyclohexylsulfanyl)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[3-(cyclohexylthio)propyl]-3-(2-oxoimidazolidin-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.596993
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.467895
• LogD (pH = 7.4): 2.467895
• Log P: 2.467895
• Molar Refractivity: 102.5663 cm^3
• Polarizability: 39.196983 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.41
• LOG S: -3.89
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 7