1-[(4-methoxyphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[(4-methoxyphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[(4-methoxyphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0170 |
| Compound Name: | 1-[(4-methoxyphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 358.35 |
| Molecular Formula: | C20 H14 N4 O3 |
| Smiles: | COc1ccc(CN2C3=C(C=C(C#N)C2=O)C(N2C=CC=CC2=N3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8719 |
| logD: | 1.8718 |
| logSw: | -2.2868 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.174 |
| InChI Key: | RFKUYFVPDHKHGS-UHFFFAOYSA-N |