N-{[4-(4-fluorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[4-(4-fluorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
N-{[4-(4-fluorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C592-3463 |
| Compound Name: | N-{[4-(4-fluorophenyl)-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide |
| Molecular Weight: | 481.57 |
| Molecular Formula: | C23 H20 F N5 O2 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(CNC(c2cccs2)=O)n1c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8177 |
| logD: | 3.8177 |
| logSw: | -3.8778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.541 |
| InChI Key: | BKRPVICEMHGQEK-UHFFFAOYSA-N |