ethyl 1-{3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
ethyl 1-{3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V014-2299 |
| Compound Name: | ethyl 1-{3-[4-(2-chlorophenyl)-1-ethyl-2,5-dioxo-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]propanoyl}piperidine-4-carboxylate |
| Molecular Weight: | 503 |
| Molecular Formula: | C25 H31 Cl N4 O5 |
| Smiles: | CCN1C2CN(CCC(N3CCC(CC3)C(=O)OCC)=O)C(C=2C(c2ccccc2[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0898 |
| logD: | 2.074 |
| logSw: | -2.9274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.586 |
| InChI Key: | LNBSZZYASYECSD-JOCHJYFZSA-N |