2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | L558-0313 |
| Compound Name: | 2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamide |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C24 H26 Cl N5 O3 |
| Smiles: | CCN1C(N(CC(NCCC2CCCCC=2)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0696 |
| logD: | 4.0696 |
| logSw: | -4.464 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.873 |
| InChI Key: | AFBVYOBAODVQJU-UHFFFAOYSA-N |