N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-2007 |
| Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(n1c1ccc(cc1)F)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4135 |
| logD: | 3.4135 |
| logSw: | -3.8741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.067 |
| InChI Key: | NLRYEROAFYKIKD-UHFFFAOYSA-N |