N-(5-chloro-2-methoxyphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-7790 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 391.88 |
| Molecular Formula: | C17 H18 Cl N5 O2 S |
| Smiles: | CCc1nnc(n1n1cccc1)SCC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8076 |
| logD: | 2.8039 |
| logSw: | -3.4097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.476 |
| InChI Key: | HHSCRRZQDSXHCK-UHFFFAOYSA-N |