ethyl 4-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8016-3886 |
| Compound Name: | ethyl 4-[2-chloro-5-(4H-1,2,4-triazol-4-yl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 363.8 |
| Molecular Formula: | C16 H18 Cl N5 O3 |
| Smiles: | CCOC(N1CCN(CC1)C(c1cc(ccc1[Cl])n1cnnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3606 |
| logD: | 1.3606 |
| logSw: | -2.8897 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.699 |
| InChI Key: | GVOKGFGBSIFGMC-UHFFFAOYSA-N |