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)phenyl 4-chlorobenzoate
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)phenyl 4-chlorobenzoate
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)phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | Y020-5388 |
| 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)phenyl 4-chlorobenzoate |
| Molecular Weight: | 511.92 |
| Molecular Formula: | C28 H18 Cl N3 O5 |
| Smiles: | CN1C2=C(C(C3=C(c4ccccc4C3=O)N2)c2ccc(cc2)OC(c2ccc(cc2)[Cl])=O)C(NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0507 |
| logD: | 2.0661 |
| logSw: | -4.943 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.802 |
| InChI Key: | ITSNNBPCBOPCQQ-HXUWFJFHSA-N |