N-methyl-3-(2-methyl-1H-indol-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

• ChemBase ID: 516905
• Molecular Formular: C18H21N3OS
• Molecular Mass: 327.44384
• Monoisotopic Mass: 327.14053331
• SMILES: n1(c(cc2c1cccc2)C)CCC(=O)N(C(c1nccs1)C)C
• Canonical SMILES: O=C(N(C(c1nccs1)C)C)CCn1c(C)cc2c1cccc2
• InChI: InChI=1S/C18H21N3OS/c1-13-12-15-6-4-5-7-16(15)21(13)10-8-17(22)20(3)14(2)18-19-9-11-23-18/h4-7,9,11-12,14H,8,10H2,1-3H3
• InChIKey: LNWPDADCEKKLNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(2-methyl-1H-indol-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
• IUPAC Traditional name: N-methyl-3-(2-methylindol-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
• Synonyms: N-methyl-3-(2-methyl-1H-indol-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.87568
• LogD (pH = 7.4): 2.8758452
• Log P: 2.8758473
• Molar Refractivity: 93.2324 cm^3
• Polarizability: 36.91986 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.96
• LOG S: -4.12
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 5