ethyl 1-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetyl}piperidine-3-carboxylate
ethyl 1-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | L558-0355 |
| Compound Name: | ethyl 1-{[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetyl}piperidine-3-carboxylate |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C24 H26 Cl N5 O5 |
| Smiles: | CCN1C(N(CC(N2CCCC(C2)C(=O)OCC)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2551 |
| logD: | 3.2551 |
| logSw: | -3.6097 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.447 |
| InChI Key: | PTQMGZLPTIIVCG-INIZCTEOSA-N |