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 4-chlorobenzoate
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 4-chlorobenzoate
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 4-chlorobenzoate
Compound characteristics
| Compound ID: | 4582-0260 |
| 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 4-chlorobenzoate |
| Molecular Weight: | 525.95 |
| Molecular Formula: | C29 H20 Cl N3 O5 |
| Smiles: | CN1C2=C(C(C3=C(c4ccccc4C3=O)N2)c2ccc(cc2)OC(c2ccc(cc2)[Cl])=O)C(N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6409 |
| logD: | 2.5361 |
| logSw: | -5.1998 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.888 |
| InChI Key: | QWODXPRVRXFKFX-OAQYLSRUSA-N |