N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | 2515-5473 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-methylbenzamide |
| Molecular Weight: | 358.85 |
| Molecular Formula: | C17 H15 Cl N4 O S |
| Smiles: | Cc1ccc(cc1)C(NCC1=NNC(N1c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6777 |
| logD: | 1.9455 |
| logSw: | -4.1187 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | FEBBKUBNGLFVAS-UHFFFAOYSA-N |