2-{[1-ethyl-7-(4-methoxyphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-ethyl-7-(4-methoxyphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
2-{[1-ethyl-7-(4-methoxyphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | L559-0680 |
| Compound Name: | 2-{[1-ethyl-7-(4-methoxyphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C23 H19 N5 O3 |
| Smiles: | CCN1C(N(Cc2ccccc2C#N)C(c2cnc(c3ccc(cc3)OC)nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9937 |
| logD: | 3.9937 |
| logSw: | -4.0957 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.967 |
| InChI Key: | JKYSYQLJQJFLLS-UHFFFAOYSA-N |