4-(3-{2-[(4-bromophenyl)methylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(3-{2-[(4-bromophenyl)methylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
4-(3-{2-[(4-bromophenyl)methylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-4743 |
| Compound Name: | 4-(3-{2-[(4-bromophenyl)methylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 670.6 |
| Molecular Formula: | C30 H28 Br N3 O6 S2 |
| Smiles: | Cc1ccc(cc1)S(NC(Cc1ccc(cc1)OS(c1ccc(C)cc1)(=O)=O)C(N/N=C\c1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7851 |
| logD: | 6.7757 |
| logSw: | -5.6433 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.918 |
| InChI Key: | GWXOUSIIYQATLP-LJAQVGFWSA-N |