4-[3-(4-bromophenyl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(4-bromophenyl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
4-[3-(4-bromophenyl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid
Compound characteristics
| Compound ID: | 8011-5428 |
| Compound Name: | 4-[3-(4-bromophenyl)-5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl]benzoic acid |
| Molecular Weight: | 376.23 |
| Molecular Formula: | C15 H10 Br N3 O2 S |
| Smiles: | c1cc(ccc1C1=NNC(N1c1ccc(cc1)C(O)=O)=S)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2211 |
| logD: | 1.8259 |
| logSw: | -4.3186 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.382 |
| InChI Key: | UYQAITQKGOMXCK-UHFFFAOYSA-N |