N-(1H-benzimidazol-5-yl)-3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-(1H-benzimidazol-5-yl)-3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)propanamide
N-(1H-benzimidazol-5-yl)-3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | Y043-5172 |
| Compound Name: | N-(1H-benzimidazol-5-yl)-3-(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)propanamide |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C27 H23 N5 O5 |
| Smiles: | COc1ccc2C3N(CCC(Nc4ccc5c(c4)nc[nH]5)=O)C(c4ccccc4N3C(c2c1OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3469 |
| logD: | 2.334 |
| logSw: | -3.2493 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.728 |
| InChI Key: | RMXVQIMTBZHREQ-RUZDIDTESA-N |