3-(11-acetyl-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 acetate
Chemical Structure Depiction of
3-(11-acetyl-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 acetate
3-(11-acetyl-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 acetate
Compound characteristics
| Compound ID: | 3785-0118 |
| Compound Name: | 3-(11-acetyl-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 acetate |
| Molecular Weight: | 471.47 |
| Molecular Formula: | C26 H21 N3 O6 |
| Smiles: | CC(N1C2=C(C(C3=C1N(C)C(N(C)C3=O)=O)c1cccc(c1)OC(C)=O)C(c1ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1053 |
| logD: | 2.1053 |
| logSw: | -2.9873 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.704 |
| InChI Key: | HMJYYRYQXBBCKV-IBGZPJMESA-N |