N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 336837
• Molecular Formular: C22H24N2O5S
• Molecular Mass: 428.50136
• Monoisotopic Mass: 428.14059288
• SMILES: c1(C(=O)N(Cc2cc(OCc3occc3)c(cc2)OC)CC2OCCC2)scnc1
• Canonical SMILES: COc1ccc(cc1OCc1ccco1)CN(C(=O)c1cncs1)CC1CCCO1
• InChI: InChI=1S/C22H24N2O5S/c1-26-19-7-6-16(10-20(19)29-14-18-5-3-9-28-18)12-24(13-17-4-2-8-27-17)22(25)21-11-23-15-30-21/h3,5-7,9-11,15,17H,2,4,8,12-14H2,1H3
• InChIKey: QJCZGIXAUSQRIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-{[3-(furan-2-ylmethoxy)-4-methoxyphenyl]methyl}-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
• Synonyms: N-[3-(2-furylmethoxy)-4-methoxybenzyl]-N-(tetrahydro-2-furanylmethyl)-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6749053
• LogD (pH = 7.4): 2.6749098
• Log P: 2.6749098
• Molar Refractivity: 112.7195 cm^3
• Polarizability: 43.11794 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.84
• LOG S: -3.29
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 8