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

• ChemBase ID: 659331
• Molecular Formular: C19H22FN3OS
• Molecular Mass: 359.4608832
• Monoisotopic Mass: 359.14676156
• SMILES: [nH]1c(c(c2c1c(F)ccc2)CC(=O)NCc1sc(nc1C)CCC)C
• Canonical SMILES: CCCc1nc(c(s1)CNC(=O)Cc1c(C)[nH]c2c1cccc2F)C
• InChI: InChI=1S/C19H22FN3OS/c1-4-6-18-22-12(3)16(25-18)10-21-17(24)9-14-11(2)23-19-13(14)7-5-8-15(19)20/h5,7-8,23H,4,6,9-10H2,1-3H3,(H,21,24)
• InChIKey: HUUYLGDPKLOVOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.389579
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3828
• LogD (pH = 7.4): 3.3839824
• Log P: 3.3839974
• Molar Refractivity: 98.4023 cm^3
• Polarizability: 38.250328 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: 3.2
• LOG S: -4.55
• Polar Surface Area: 57.78 Å^2
• Rotatable Bonds: 6