2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
Compound ID: | 1951-2503 |
Compound Name: | 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-5-methyl-4-[2-(2-methyl-5-nitrophenyl)hydrazinylidene]-2,4-dihydro-3H-pyrazol-3-one |
Molecular Weight: | 499.34 |
Molecular Formula: | C20 H15 Br N6 O3 S |
Smiles: | CC1\C(C(N(c2nc(cs2)c2ccc(cc2)[Br])N=1)=O)=N/Nc1cc(ccc1C)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 6.4027 |
logD: | 6.4018 |
logSw: | -5.6077 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.794 |
InChI Key: | MTTFKFVNAVIHKH-UHFFFAOYSA-N |