4-(3-{2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(3-{2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
4-(3-{2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-4667 |
| Compound Name: | 4-(3-{2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-[(4-methylbenzene-1-sulfonyl)amino]-3-oxopropyl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 684.63 |
| Molecular Formula: | C31 H30 Br N3 O6 S2 |
| Smiles: | C\C(c1ccc(cc1)[Br])=N/NC(C(Cc1ccc(cc1)OS(c1ccc(C)cc1)(=O)=O)NS(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9185 |
| logD: | 6.9024 |
| logSw: | -5.6555 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.206 |
| InChI Key: | QVRVCHZLVYHEMR-PMERELPUSA-N |