N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2558 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 379.27 |
| Molecular Formula: | C16 H12 Cl2 N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(c(c1)[Cl])[Cl])=S)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8487 |
| logD: | 2.1165 |
| logSw: | -4.3981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | MTNBHXRXIINIRD-UHFFFAOYSA-N |