N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | 3330-2641 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 403.3 |
| Molecular Formula: | C17 H15 Br N4 O S |
| Smiles: | Cc1cccc(c1)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8198 |
| logD: | 2.9691 |
| logSw: | -3.9642 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | KKZYMSRBFZASAZ-UHFFFAOYSA-N |