N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 717577
• Molecular Formular: C20H25N3OS
• Molecular Mass: 355.497
• Monoisotopic Mass: 355.17183344
• SMILES: c1(c2c([nH]c1C)c(cc(c2)C)C)CC(=O)NCCCc1nc(cs1)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NCCCc1scc(n1)C
• InChI: InChI=1S/C20H25N3OS/c1-12-8-13(2)20-17(9-12)16(15(4)23-20)10-18(24)21-7-5-6-19-22-14(3)11-25-19/h8-9,11,23H,5-7,10H2,1-4H3,(H,21,24)
• InChIKey: WQVLRSZHFVMDMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.716774
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4660628
• LogD (pH = 7.4): 3.4663663
• Log P: 3.46637
• Molar Refractivity: 103.597 cm^3
• Polarizability: 40.36244 Å^3
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.71
• LOG S: -4.96
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 6