2-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}acetamide
Chemical Structure Depiction of
2-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}acetamide
2-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}acetamide
Compound characteristics
| Compound ID: | Y043-5168 |
| Compound Name: | 2-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[(pyrimidin-2-yl)amino]ethyl}acetamide |
| Molecular Weight: | 488.5 |
| Molecular Formula: | C25 H24 N6 O5 |
| Smiles: | COc1ccc2C3N(CC(NCCNc4ncccn4)=O)C(c4ccccc4N3C(c2c1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.1682 |
| logD: | 0.1682 |
| logSw: | -2.2105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.301 |
| InChI Key: | QJCQHBPHJDHIAA-JOCHJYFZSA-N |