N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide
Compound characteristics
| Compound ID: | 3330-2831 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-trimethoxybenzamide |
| Molecular Weight: | 479.35 |
| Molecular Formula: | C19 H19 Br N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2295 |
| logD: | 2.3789 |
| logSw: | -3.5399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.492 |
| InChI Key: | GHSYFGVFDPBDNU-UHFFFAOYSA-N |