2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 1951-2506 |
| Compound Name: | 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-[2-(2-methoxy-5-nitrophenyl)hydrazinylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 515.34 |
| Molecular Formula: | C20 H15 Br N6 O4 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2ccc(cc2)[Br])N=1)=O)=N/Nc1cc(ccc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0827 |
| logD: | 6.0683 |
| logSw: | -5.5385 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.425 |
| InChI Key: | GTOFAGXNUOWAKQ-UHFFFAOYSA-N |