1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Chemical Structure Depiction of
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
Compound characteristics
| Compound ID: | D021-0043 |
| Compound Name: | 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile |
| Molecular Weight: | 424.42 |
| Molecular Formula: | C23 H16 N6 O3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C2=C(C=C(C#N)C1=O)C(N1C=CC=CC1=N2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6391 |
| logD: | 0.6391 |
| logSw: | -0.6894 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.119 |
| InChI Key: | IRZYNKXRAUFEJC-UHFFFAOYSA-N |