1-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0047 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C23 H20 N4 O4 |
| Smiles: | CC1=CC=CN2C1=NC1=C(C=C(C#N)C(N1CCc1ccc(c(c1)OC)OC)=O)C2=O |
| Stereo: | ACHIRAL |
| logP: | 1.7761 |
| logD: | 1.776 |
| logSw: | -2.0382 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.89 |
| InChI Key: | JHESDGFGMYLOTL-UHFFFAOYSA-N |