4-(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)benzoic acid
Chemical Structure Depiction of
4-(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)benzoic acid
4-(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)benzoic acid
Compound characteristics
| Compound ID: | 6484-0012 |
| Compound Name: | 4-(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)benzoic acid |
| Molecular Weight: | 401.38 |
| Molecular Formula: | C22 H15 N3 O5 |
| Smiles: | CN1C2=C(C(C3=C(c4ccccc4C3=O)N2)c2ccc(cc2)C(O)=O)C(NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2047 |
| logD: | -0.7668 |
| logSw: | -2.9696 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.833 |
| InChI Key: | XLKNPAGEJYZBDW-AWEZNQCLSA-N |