4-{[2-(3-chlorobenzoyl)hydrazinylidene]methyl}phenyl 4-methyl-3-nitrobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[2-(3-chlorobenzoyl)hydrazinylidene]methyl}phenyl 4-methyl-3-nitrobenzene-1-sulfonate
4-{[2-(3-chlorobenzoyl)hydrazinylidene]methyl}phenyl 4-methyl-3-nitrobenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-5061 |
| Compound Name: | 4-{[2-(3-chlorobenzoyl)hydrazinylidene]methyl}phenyl 4-methyl-3-nitrobenzene-1-sulfonate |
| Molecular Weight: | 473.89 |
| Molecular Formula: | C21 H16 Cl N3 O6 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)S(=O)(=O)Oc1ccc(/C=N/NC(c2cccc(c2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.979 |
| logD: | 4.9164 |
| logSw: | -5.3205 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.396 |
| InChI Key: | GIRCGWWFYHHULO-UHFFFAOYSA-N |