ethyl 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
ethyl 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C667-0193 |
| Compound Name: | ethyl 1-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C23 H28 Cl N3 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3077 |
| logD: | 4.3075 |
| logSw: | -4.4181 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.509 |
| InChI Key: | VPRRITBUEWTYPL-UHFFFAOYSA-N |