N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | 3330-2561 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide |
| Molecular Weight: | 389.27 |
| Molecular Formula: | C16 H13 Br N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3436 |
| logD: | 2.493 |
| logSw: | -3.5609 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | HQFBBZXUIKDTIM-UHFFFAOYSA-N |