N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | 3330-2771 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 417.33 |
| Molecular Formula: | C18 H17 Br N4 O S |
| Smiles: | Cc1ccc(cc1C)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4346 |
| logD: | 3.584 |
| logSw: | -4.2424 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | UTZYDPMGYDIAGQ-UHFFFAOYSA-N |