2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V005-7208 |
| Compound Name: | 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 435.37 |
| Molecular Formula: | C20 H20 Cl2 N4 O S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5534 |
| logD: | 4.5534 |
| logSw: | -4.6015 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.088 |
| InChI Key: | YKHMJLFIGPBZMJ-UHFFFAOYSA-N |