4-(2-[(4-methylbenzene-1-sulfonyl)amino]-3-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(2-[(4-methylbenzene-1-sulfonyl)amino]-3-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
4-(2-[(4-methylbenzene-1-sulfonyl)amino]-3-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-4681 |
| Compound Name: | 4-(2-[(4-methylbenzene-1-sulfonyl)amino]-3-{2-[(4-nitrophenyl)methylidene]hydrazinyl}-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 636.7 |
| Molecular Formula: | C30 H28 N4 O8 S2 |
| Smiles: | Cc1ccc(cc1)S(NC(Cc1ccc(cc1)OS(c1ccc(C)cc1)(=O)=O)C(N/N=C\c1ccc(cc1)[N+]([O-])=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8769 |
| logD: | 5.8675 |
| logSw: | -5.4376 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 146.299 |
| InChI Key: | UAKQZAKBGZYUSW-LJAQVGFWSA-N |