2-bromo-4-[N-(4-chlorobenzene-1-sulfonyl)butanamido]phenyl butanoate
Chemical Structure Depiction of
2-bromo-4-[N-(4-chlorobenzene-1-sulfonyl)butanamido]phenyl butanoate
2-bromo-4-[N-(4-chlorobenzene-1-sulfonyl)butanamido]phenyl butanoate
Compound characteristics
| Compound ID: | 4456-2832 |
| Compound Name: | 2-bromo-4-[N-(4-chlorobenzene-1-sulfonyl)butanamido]phenyl butanoate |
| Molecular Weight: | 502.81 |
| Molecular Formula: | C20 H21 Br Cl N O5 S |
| Smiles: | CCCC(N(c1ccc(c(c1)[Br])OC(CCC)=O)S(c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6847 |
| logD: | 5.6847 |
| logSw: | -5.8672 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.431 |
| InChI Key: | LJUOYVZDJAQFLM-UHFFFAOYSA-N |