N-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | A0062286 |
| Compound Name: | N-{[4-(4-ethoxyphenyl)-5-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C25 H25 N5 O4 S2 |
| Smiles: | CCOc1ccc(cc1)n1c(CNC(c2cccs2)=O)nnc1SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7801 |
| logD: | 3.7801 |
| logSw: | -3.972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.209 |
| InChI Key: | SYHTVDYOGYIWSP-UHFFFAOYSA-N |