1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate
Chemical Structure Depiction of
1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate
1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate
Compound characteristics
| Compound ID: | Y020-5026 |
| Compound Name: | 1,3-dimethyl-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-6-yl acetate |
| Molecular Weight: | 458.43 |
| Molecular Formula: | C24 H18 N4 O6 |
| Smiles: | CC(=O)OC1=C2C(C3=C(N=C2c2ccccc12)N(C)C(N(C)C3=O)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8016 |
| logD: | 2.7985 |
| logSw: | -3.5372 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.044 |
| InChI Key: | VTMSFOAHVCNJGR-QGZVFWFLSA-N |