2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-3007 |
| Compound Name: | 2-({4-(4-chlorophenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C19 H17 Cl N6 O S2 |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccc(cc1)[Cl])SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5962 |
| logD: | 3.5957 |
| logSw: | -3.8744 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.214 |
| InChI Key: | NMAIULQNZQRVMA-UHFFFAOYSA-N |