N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methyl-1,3-thiazole-4-carboxamide

• ChemBase ID: 514053
• Molecular Formular: C24H25FN2O2S
• Molecular Mass: 424.5309032
• Monoisotopic Mass: 424.16207727
• SMILES: c1(C(=O)N(Cc2cc(OCc3ccc(F)cc3)ccc2)C2CCCC2)nc(sc1)C
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)c1csc(n1)C)C1CCCC1
• InChI: InChI=1S/C24H25FN2O2S/c1-17-26-23(16-30-17)24(28)27(21-6-2-3-7-21)14-19-5-4-8-22(13-19)29-15-18-9-11-20(25)12-10-18/h4-5,8-13,16,21H,2-3,6-7,14-15H2,1H3
• InChIKey: JETASZSAZPJQIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methyl-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-2-methyl-1,3-thiazole-4-carboxamide
• Synonyms: N-cyclopentyl-N-{3-[(4-fluorobenzyl)oxy]benzyl}-2-methyl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.227622
• LogD (pH = 7.4): 5.227625
• Log P: 5.227625
• Molar Refractivity: 116.5249 cm^3
• Polarizability: 44.394665 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.31
• LOG S: -7.36
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7