ethyl 4-[3-(3-bromo-4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(3-bromo-4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
ethyl 4-[3-(3-bromo-4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8013-0474 |
| Compound Name: | ethyl 4-[3-(3-bromo-4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 434.76 |
| Molecular Formula: | C17 H24 Br N3 O3 |
| Salt: | HCl |
| Smiles: | CCOC(N1CCN(CCC(Nc2ccc(C)c(c2)[Br])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8565 |
| logD: | 2.8095 |
| logSw: | -3.0972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.879 |
| InChI Key: | XSLXZBFFCBQGNX-UHFFFAOYSA-N |