4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | 3652-0258 |
| Compound Name: | 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 574.55 |
| Molecular Formula: | C32 H22 N4 O7 |
| Smiles: | CN1C2=C(C(C3=C(c4ccccc4C3=O)N2)c2ccc(cc2)OC(CN2C(c3ccccc3C2=O)=O)=O)C(N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1004 |
| logD: | 0.9956 |
| logSw: | -3.7332 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.818 |
| InChI Key: | UNWLPAUQBAUSLD-QHCPKHFHSA-N |