ethyl {[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl}acetate
ethyl {[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K781-2459 |
| Compound Name: | ethyl {[2-nitro-4-(4-phenylpiperazine-1-carbonyl)phenyl]sulfanyl}acetate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2834 |
| logD: | 3.2834 |
| logSw: | -3.7094 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.386 |
| InChI Key: | NUUOLOBKSBTAPE-UHFFFAOYSA-N |