2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | Y500-7731 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-[1-(3-nitroanilino)ethylidene]-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 536.03 |
| Molecular Formula: | C25 H18 Cl N5 O3 S2 |
| Smiles: | C/C(=C1/C(CSc2ccc(cc2)[Cl])=NN(C1=O)c1nc2ccccc2s1)Nc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9689 |
| logD: | 6.5306 |
| logSw: | -6.2737 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.184 |
| InChI Key: | WPDACGUOKNZQBZ-UHFFFAOYSA-N |