3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}propanamide
Chemical Structure Depiction of
3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}propanamide
3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}propanamide
Compound characteristics
| Compound ID: | Y042-2575 |
| Compound Name: | 3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{2-[2-(hydroxymethyl)-1H-benzimidazol-1-yl]ethyl}propanamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C28 H25 N5 O4 |
| Smiles: | C(CN1C2c3ccccc3C(N2c2ccccc2C1=O)=O)C(NCCn1c2ccccc2nc1CO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8682 |
| logD: | 1.8655 |
| logSw: | -2.5052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.285 |
| InChI Key: | OUYCHFJBMURTDN-AREMUKBSSA-N |