5-methoxy-N,1,2-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide

• ChemBase ID: 520503
• Molecular Formular: C18H21N3O2S
• Molecular Mass: 343.44324
• Monoisotopic Mass: 343.13544793
• SMILES: c1(c(n(c2c1cc(cc2)OC)C)C)C(=O)N(C(c1nccs1)C)C
• Canonical SMILES: COc1ccc2c(c1)c(C(=O)N(C(c1nccs1)C)C)c(n2C)C
• InChI: InChI=1S/C18H21N3O2S/c1-11-16(14-10-13(23-5)6-7-15(14)20(11)3)18(22)21(4)12(2)17-19-8-9-24-17/h6-10,12H,1-5H3
• InChIKey: IMMXQGNQMXWHCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-N,1,2-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide
• IUPAC Traditional name: 5-methoxy-N,1,2-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]indole-3-carboxamide
• Synonyms: 5-methoxy-N,1,2-trimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1H-indole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6605957
• LogD (pH = 7.4): 2.6607609
• Log P: 2.660763
• Molar Refractivity: 96.1678 cm^3
• Polarizability: 37.30029 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.62
• LOG S: -3.94
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 4