4-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]butanamide
4-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | Y043-5514 |
| Compound Name: | 4-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[(1-methyl-1H-pyrrol-2-yl)methyl]butanamide |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C27 H28 N4 O5 |
| Smiles: | Cn1cccc1CNC(CCCN1C2c3ccc(c(c3C(N2c2ccccc2C1=O)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.887 |
| logD: | 1.887 |
| logSw: | -2.7115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.418 |
| InChI Key: | ZXACZYPMMWPPJG-RUZDIDTESA-N |