4-butoxy-N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-butoxy-N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
4-butoxy-N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2688 |
| Compound Name: | 4-butoxy-N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 451.37 |
| Molecular Formula: | C20 H20 Cl2 N4 O2 S |
| Smiles: | CCCCOc1ccc(cc1)C(NCC1=NNC(N1c1ccc(c(c1)[Cl])[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3861 |
| logD: | 3.6539 |
| logSw: | -6.0252 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.932 |
| InChI Key: | BFQZQQATMBUIOG-UHFFFAOYSA-N |