1-[2-(3,4-dimethoxyphenyl)ethyl]-8-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]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0048 |
| Compound Name: | 1-[2-(3,4-dimethoxyphenyl)ethyl]-8-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: | CC1C=CC2=NC3=C(C=C(C#N)C(N3CCc3ccc(c(c3)OC)OC)=O)C(N2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8099 |
| logD: | 1.8096 |
| logSw: | -2.0674 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.388 |
| InChI Key: | XMTLHVZSUVFIBJ-UHFFFAOYSA-N |