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

• ChemBase ID: 575694
• Molecular Formular: C23H26N2O3S2
• Molecular Mass: 442.59414
• Monoisotopic Mass: 442.1384847
• SMILES: c1(C(=O)N(Cc2cc(OCc3sccc3)c(cc2)OC)C2CCCC2)nc(sc1)C
• Canonical SMILES: COc1ccc(cc1OCc1cccs1)CN(C(=O)c1csc(n1)C)C1CCCC1
• InChI: InChI=1S/C23H26N2O3S2/c1-16-24-20(15-30-16)23(26)25(18-6-3-4-7-18)13-17-9-10-21(27-2)22(12-17)28-14-19-8-5-11-29-19/h5,8-12,15,18H,3-4,6-7,13-14H2,1-2H3
• InChIKey: WQXDWGONAAISKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.84013
• LogD (pH = 7.4): 4.840133
• Log P: 4.840133
• Molar Refractivity: 119.6616 cm^3
• Polarizability: 45.92875 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.55
• LOG S: -6.05
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 7