1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0213 |
| Compound Name: | 1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 342.36 |
| Molecular Formula: | C20 H14 N4 O2 |
| Smiles: | Cc1ccc(CN2C3=C(C=C(C#N)C2=O)C(N2C=CC=CC2=N3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3129 |
| logD: | 2.3128 |
| logSw: | -2.5554 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.63 |
| InChI Key: | QFZHOUMXAQGWIR-UHFFFAOYSA-N |