2-chloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
Chemical Structure Depiction of
2-chloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
2-chloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate
Compound characteristics
| Compound ID: | 1325-0272 |
| Compound Name: | 2-chloro-4-[N-(3-nitrobenzene-1-sulfonyl)butanamido]phenyl butanoate |
| Molecular Weight: | 468.91 |
| Molecular Formula: | C20 H21 Cl N2 O7 S |
| Smiles: | CCCC(N(c1ccc(c(c1)[Cl])OC(CCC)=O)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5293 |
| logD: | 4.5293 |
| logSw: | -4.7987 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.813 |
| InChI Key: | HLSLHKZGNWPKHC-UHFFFAOYSA-N |