N-[3-(azepan-1-yl)propyl]-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetamide
N-[3-(azepan-1-yl)propyl]-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetamide
Compound characteristics
| Compound ID: | L558-0463 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[7-(4-chlorophenyl)-1-ethyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]acetamide |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C25 H31 Cl N6 O3 |
| Smiles: | CCN1C(N(CC(NCCCN2CCCCCC2)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5639 |
| logD: | 0.9353 |
| logSw: | -3.9843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.994 |
| InChI Key: | HPZIHKZVUAPEFV-UHFFFAOYSA-N |