N-(3-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9665 |
| Compound Name: | N-(3-chlorophenyl)-2-{[4-(1H-pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 415.92 |
| Molecular Formula: | C18 H14 Cl N5 O S2 |
| Smiles: | C(C(Nc1cccc(c1)[Cl])=O)Sc1nnc(c2cccs2)n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4349 |
| logD: | 4.4348 |
| logSw: | -4.4997 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.314 |
| InChI Key: | VQHYRGUKUSEPIJ-UHFFFAOYSA-N |