ethyl 4-[3-(2-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 4-[3-(2-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
ethyl 4-[3-(2-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4239-0602 |
| Compound Name: | ethyl 4-[3-(2-chloroanilino)-3-oxopropyl]piperazine-1-carboxylate--hydrogen chloride (1/1) |
| Molecular Weight: | 376.28 |
| Molecular Formula: | C16 H22 Cl N3 O3 |
| Salt: | HCl |
| Smiles: | CCOC(N1CCN(CCC(Nc2ccccc2[Cl])=O)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8152 |
| logD: | 1.7683 |
| logSw: | -2.4956 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.181 |
| InChI Key: | ANGRMMAZFBVJNF-UHFFFAOYSA-N |