N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-benzyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Chemical Structure Depiction of
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-benzyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-benzyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1955 |
| Compound Name: | N-({5-[(2-anilino-2-oxoethyl)sulfanyl]-4-benzyl-4H-1,2,4-triazol-3-yl}methyl)-4-methoxybenzamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C26 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1)C(NCc1nnc(n1Cc1ccccc1)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5904 |
| logD: | 3.5904 |
| logSw: | -3.8308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.323 |
| InChI Key: | QUTNWCPJYRUGRT-UHFFFAOYSA-N |