4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate
Chemical Structure Depiction of
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate
Compound characteristics
| Compound ID: | Y020-6605 |
| Compound Name: | 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-nitrobenzoate |
| Molecular Weight: | 536.5 |
| Molecular Formula: | C29 H20 N4 O7 |
| Smiles: | CN1C2=C(C(C3C(c4ccccc4C3=O)=N2)c2ccc(cc2)OC(c2ccc(cc2)[N+]([O-])=O)=O)C(N(C)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9988 |
| logD: | 2.1396 |
| logSw: | -4.3044 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 105.5 |
| InChI Key: | NOJZWXRNPGLSBU-UHFFFAOYSA-N |