3-(1-methyl-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 4-methylbenzoate
Chemical Structure Depiction of
3-(1-methyl-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 4-methylbenzoate
3-(1-methyl-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 4-methylbenzoate
Compound characteristics
| Compound ID: | 3652-0256 |
| Compound Name: | 3-(1-methyl-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 4-methylbenzoate |
| Molecular Weight: | 491.5 |
| Molecular Formula: | C29 H21 N3 O5 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cccc(c1)C1C2=C(c3ccccc3C2=O)NC2=C1C(NC(N2C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8243 |
| logD: | 1.8397 |
| logSw: | -4.0615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.802 |
| InChI Key: | NCQQDJMFIONDAF-NRFANRHFSA-N |