2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | V017-5524 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N,N-diethylacetamide |
| Molecular Weight: | 338.86 |
| Molecular Formula: | C15 H19 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCN(CC)C(CSc1nnc(C)n1c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3908 |
| logD: | 2.3908 |
| logSw: | -3.031 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.437 |
| InChI Key: | KLYFNDQOXQALCA-UHFFFAOYSA-N |