8-methyl-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
8-methyl-1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
8-methyl-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: | D021-0187 |
Compound Name: | 8-methyl-1-[(4-methylphenyl)methyl]-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
Molecular Weight: | 356.38 |
Molecular Formula: | C21 H16 N4 O2 |
Smiles: | CC1C=CC2=NC3=C(C=C(C#N)C(N3Cc3ccc(C)cc3)=O)C(N2C=1)=O |
Stereo: | ACHIRAL |
logP: | 2.6171 |
logD: | 2.6166 |
logSw: | -2.7302 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 58.149 |
InChI Key: | UMNZEBWCRMHFSM-UHFFFAOYSA-N |