N-cyclopropyl-4-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)benzamide

• ChemBase ID: 601643
• Molecular Formular: C24H26N2O2S
• Molecular Mass: 406.54044
• Monoisotopic Mass: 406.17149908
• SMILES: N(C(=O)c1ccc(cc1)C)(C1CC1)Cc1cc(OCCc2c(ncs2)C)ccc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(C1CC1)Cc1cccc(c1)OCCc1scnc1C
• InChI: InChI=1S/C24H26N2O2S/c1-17-6-8-20(9-7-17)24(27)26(21-10-11-21)15-19-4-3-5-22(14-19)28-13-12-23-18(2)25-16-29-23/h3-9,14,16,21H,10-13,15H2,1-2H3
• InChIKey: VADWYDOIGSKHTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)benzamide
• Synonyms: N-cyclopropyl-4-methyl-N-{3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7515073
• LogD (pH = 7.4): 4.752747
• Log P: 4.752763
• Molar Refractivity: 117.32 cm^3
• Polarizability: 44.554775 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.45
• LOG S: -5.96
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8