N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
Compound characteristics
| Compound ID: | 3330-2801 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide |
| Molecular Weight: | 449.32 |
| Molecular Formula: | C18 H17 Br N4 O3 S |
| Smiles: | COc1cc(cc(c1)OC)C(NCC1=NNC(N1c1ccc(cc1)[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7141 |
| logD: | 2.8635 |
| logSw: | -4.1582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.602 |
| InChI Key: | DATWNCNZDMZDPN-UHFFFAOYSA-N |