2,6-dichloro-4-[N-(4-methylbenzene-1-sulfonyl)butanamido]phenyl butanoate
Chemical Structure Depiction of
2,6-dichloro-4-[N-(4-methylbenzene-1-sulfonyl)butanamido]phenyl butanoate
2,6-dichloro-4-[N-(4-methylbenzene-1-sulfonyl)butanamido]phenyl butanoate
Compound characteristics
| Compound ID: | 1325-0109 |
| Compound Name: | 2,6-dichloro-4-[N-(4-methylbenzene-1-sulfonyl)butanamido]phenyl butanoate |
| Molecular Weight: | 472.39 |
| Molecular Formula: | C21 H23 Cl2 N O5 S |
| Smiles: | CCCC(N(c1cc(c(c(c1)[Cl])OC(CCC)=O)[Cl])S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8589 |
| logD: | 5.8589 |
| logSw: | -5.9792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.518 |
| InChI Key: | HFKQSTJNHWOACO-UHFFFAOYSA-N |