2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
Chemical Structure Depiction of
2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}acetamide
Compound characteristics
| Compound ID: | IB07-6578 |
| Compound Name: | 2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}acetamide |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C27 H23 N5 O4 |
| Smiles: | C(Cn1c2ccccc2nc1CO)NC(CN1C2c3ccccc3C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7 |
| logD: | 1.68 |
| logSw: | -2.67 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 155.51 |
| InChI Key: | RFFGOCNMXGCEIX-RUZDIDTESA-N |