ethyl {[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl}acetate
ethyl {[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K781-2460 |
| Compound Name: | ethyl {[2-nitro-4-(pyrrolidine-1-carbonyl)phenyl]sulfanyl}acetate |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C15 H18 N2 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3608 |
| logD: | 2.3608 |
| logSw: | -2.6978 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.492 |
| InChI Key: | MDXXKCJGLMVRJS-UHFFFAOYSA-N |