ethyl 4-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
ethyl 4-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | K781-5396 |
| Compound Name: | ethyl 4-{4-[(4-bromophenyl)sulfanyl]-3-nitrobenzamido}piperidine-1-carboxylate |
| Molecular Weight: | 508.39 |
| Molecular Formula: | C21 H22 Br N3 O5 S |
| Smiles: | CCOC(N1CCC(CC1)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2597 |
| logD: | 5.2597 |
| logSw: | -5.1037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.966 |
| InChI Key: | ZDGFKQCJRWSCTL-UHFFFAOYSA-N |