N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 2515-5459 |
| Compound Name: | N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 372.87 |
| Molecular Formula: | C18 H17 Cl N4 O S |
| Smiles: | Cc1ccc(cc1C)C(NCC1=NNC(N1c1ccccc1[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0892 |
| logD: | 1.4656 |
| logSw: | -4.4201 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.213 |
| InChI Key: | UMPXNHGYSSHPIE-UHFFFAOYSA-N |