ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8006-1622 |
| Compound Name: | ethyl 4-[3-(3-bromoanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 420.73 |
| Molecular Formula: | C16 H22 Br N3 O3 |
| Salt: | HCl |
| Smiles: | CCOC(N1CCN(CCC(Nc2cccc(c2)[Br])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5725 |
| logD: | 2.5256 |
| logSw: | -2.9506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.879 |
| InChI Key: | LSZFDOVWASJLSQ-UHFFFAOYSA-N |