4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzamide
Chemical Structure Depiction of
4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzamide
4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzamide
Compound characteristics
| Compound ID: | 1697-1439 |
| Compound Name: | 4-(2-{3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}hydrazinyl)benzamide |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C20 H15 N7 O4 S |
| Smiles: | CC1\C(C(N(c2nc(cs2)c2cccc(c2)[N+]([O-])=O)N=1)=O)=N/Nc1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6203 |
| logD: | 3.6201 |
| logSw: | -3.9716 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 122.551 |
| InChI Key: | XNXJYVVGSISEKU-UHFFFAOYSA-N |