4-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 494496
• Molecular Formular: C19H24N4O2S
• Molecular Mass: 372.48446
• Monoisotopic Mass: 372.16199703
• SMILES: N1(C(=O)NCC1)c1cc(C(=O)NCc2sc(nc2C)CCC)ccc1C
• Canonical SMILES: CCCc1nc(c(s1)CNC(=O)c1ccc(c(c1)N1CCNC1=O)C)C
• InChI: InChI=1S/C19H24N4O2S/c1-4-5-17-22-13(3)16(26-17)11-21-18(24)14-7-6-12(2)15(10-14)23-9-8-20-19(23)25/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,25)(H,21,24)
• InChIKey: CCHYOLIMDVQLRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: 4-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: 4-methyl-N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.663639
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.295413
• LogD (pH = 7.4): 2.296595
• Log P: 2.2966104
• Molar Refractivity: 102.5228 cm^3
• Polarizability: 38.49491 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.18
• LOG S: -3.78
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 6