2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | G856-7844 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 409.9 |
| Molecular Formula: | C20 H16 Cl N5 O S |
| Smiles: | C(C(Nc1ccccc1)=O)Sc1nnc(c2ccc(cc2)[Cl])n1n1cccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3639 |
| logD: | 4.3639 |
| logSw: | -4.7507 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.296 |
| InChI Key: | KOWFFFHHMAZDCE-UHFFFAOYSA-N |