2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide
2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide
Compound characteristics
| Compound ID: | G856-7885 |
| Compound Name: | 2-{[5-cyclohexyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dichlorophenyl)acetamide |
| Molecular Weight: | 450.39 |
| Molecular Formula: | C20 H21 Cl2 N5 O S |
| Smiles: | C1CCC(CC1)c1nnc(n1n1cccc1)SCC(Nc1cccc(c1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1696 |
| logD: | 5.1596 |
| logSw: | -5.4761 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.79 |
| InChI Key: | YRDLUSGQJAIMRV-UHFFFAOYSA-N |