3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(1H-imidazol-2-yl)propanamide
Chemical Structure Depiction of
3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(1H-imidazol-2-yl)propanamide
3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(1H-imidazol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y044-4747 |
| Compound Name: | 3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-(1H-imidazol-2-yl)propanamide |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | COc1ccc2C3N(CCC(Nc4ncc[nH]4)=O)C(c4ccccc4N3C(c2c1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8472 |
| logD: | 0.8458 |
| logSw: | -2.2201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.786 |
| InChI Key: | ULVQQFWVSXICRX-HXUWFJFHSA-N |