N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 762241
• Molecular Formular: C24H25FN2O3S
• Molecular Mass: 440.5303032
• Monoisotopic Mass: 440.15699189
• SMILES: c1(C(=O)N(Cc2cc(OCCc3c(F)cccc3)ccc2)CC2OCCC2)scnc1
• Canonical SMILES: Fc1ccccc1CCOc1cccc(c1)CN(C(=O)c1cncs1)CC1CCCO1
• InChI: InChI=1S/C24H25FN2O3S/c25-22-9-2-1-6-19(22)10-12-30-20-7-3-5-18(13-20)15-27(16-21-8-4-11-29-21)24(28)23-14-26-17-31-23/h1-3,5-7,9,13-14,17,21H,4,8,10-12,15-16H2
• InChIKey: LNIZTYQXLGFBBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -5.17
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• H Acceptors: 4
• H Donor: 0
• Log P: 4.4

JChem

• Molar Refractivity: 118.8368 cm^3
• Polarizability: 45.12534 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.203693
• LogD (pH = 7.4): 4.2036977
• Log P: 4.2036977