ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4239-0058 |
| Compound Name: | ethyl 4-[3-(4-bromo-3-methylanilino)-3-oxopropyl]piperazine-1-carboxylate |
| Molecular Weight: | 398.3 |
| Molecular Formula: | C17 H24 Br N3 O3 |
| Smiles: | CCOC(N1CCN(CCC(Nc2ccc(c(C)c2)[Br])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.939 |
| logD: | 2.8921 |
| logSw: | -3.1375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.879 |
| InChI Key: | DWEWFSCXMVTBNF-UHFFFAOYSA-N |