ethyl ({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate
ethyl ({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K781-2463 |
| Compound Name: | ethyl ({2-nitro-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}sulfanyl)acetate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.951 |
| logD: | 2.9422 |
| logSw: | -3.4627 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.898 |
| InChI Key: | BDVJXOWVJJRJAP-UHFFFAOYSA-N |