3-[3-(4-bromophenyl)-4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-ethylpyrrolidine-2,5-dione
Chemical Structure Depiction of
3-[3-(4-bromophenyl)-4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-ethylpyrrolidine-2,5-dione
3-[3-(4-bromophenyl)-4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-ethylpyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | 8016-5120 |
| Compound Name: | 3-[3-(4-bromophenyl)-4-(4-fluorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-1-ethylpyrrolidine-2,5-dione |
| Molecular Weight: | 475.34 |
| Molecular Formula: | C20 H16 Br F N4 O2 S |
| Smiles: | CCN1C(CC(C1=O)N1C(N(C(c2ccc(cc2)[Br])=N1)c1ccc(cc1)F)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6758 |
| logD: | 3.6758 |
| logSw: | -3.9592 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.713 |
| InChI Key: | AVBVAPROSCHOEA-INIZCTEOSA-N |