N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | 3330-2661 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3-methoxybenzamide |
| Molecular Weight: | 419.3 |
| Molecular Formula: | C17 H15 Br N4 O2 S |
| Smiles: | COc1cccc(c1)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5109 |
| logD: | 2.6603 |
| logSw: | -3.9115 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.058 |
| InChI Key: | UOIXRNPUCUAQFQ-UHFFFAOYSA-N |