N,3,5,7-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide

• ChemBase ID: 664671
• Molecular Formular: C19H23N3OS
• Molecular Mass: 341.47042
• Monoisotopic Mass: 341.15618337
• SMILES: c1([nH]c2c(c1C)cc(cc2C)C)C(=O)N(CCc1c(ncs1)C)C
• Canonical SMILES: Cc1cc(C)c2c(c1)c(C)c([nH]2)C(=O)N(CCc1scnc1C)C
• InChI: InChI=1S/C19H23N3OS/c1-11-8-12(2)17-15(9-11)13(3)18(21-17)19(23)22(5)7-6-16-14(4)20-10-24-16/h8-10,21H,6-7H2,1-5H3
• InChIKey: RRBDVWAFJCBACU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,3,5,7-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
• IUPAC Traditional name: N,3,5,7-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide
• Synonyms: N,3,5,7-tetramethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-indole-2-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.6
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 2.24

JChem

• Molar Refractivity: 100.0794 cm^3
• Polarizability: 38.311092 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.062235
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7656744
• LogD (pH = 7.4): 3.765998
• Log P: 3.7660022