2,6-dichloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
Chemical Structure Depiction of
2,6-dichloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
2,6-dichloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
Compound characteristics
| Compound ID: | 1325-0276 |
| Compound Name: | 2,6-dichloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate |
| Molecular Weight: | 503.36 |
| Molecular Formula: | C20 H20 Cl2 N2 O7 S |
| Smiles: | CCCC(N(c1cc(c(c(c1)[Cl])OC(CCC)=O)[Cl])S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2959 |
| logD: | 5.2959 |
| logSw: | -5.8848 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.9 |
| InChI Key: | NKIBPKMIQQJOFU-UHFFFAOYSA-N |