ethyl {[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate
ethyl {[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K783-4921 |
| Compound Name: | ethyl {[2-nitro-4-(pyrrolidine-1-sulfonyl)phenyl]sulfanyl}acetate |
| Molecular Weight: | 374.43 |
| Molecular Formula: | C14 H18 N2 O6 S2 |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8091 |
| logD: | 2.8091 |
| logSw: | -3.4503 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.555 |
| InChI Key: | BQSCQVJZLOOPSR-UHFFFAOYSA-N |