4-{[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]methyl}-2-nitrophenyl benzoate
Chemical Structure Depiction of
4-{[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]methyl}-2-nitrophenyl benzoate
4-{[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]methyl}-2-nitrophenyl benzoate
Compound characteristics
| Compound ID: | 8003-5008 |
| Compound Name: | 4-{[2-(4-methylbenzene-1-sulfonyl)hydrazinylidene]methyl}-2-nitrophenyl benzoate |
| Molecular Weight: | 439.45 |
| Molecular Formula: | C21 H17 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(N/N=C/c1ccc(c(c1)[N+]([O-])=O)OC(c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7437 |
| logD: | 1.5385 |
| logSw: | -4.0479 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.373 |
| InChI Key: | WUTDVAHJDNXTLR-UHFFFAOYSA-N |