N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)hexanamide
Compound characteristics
| Compound ID: | Y043-4909 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)hexanamide |
| Molecular Weight: | 497.55 |
| Molecular Formula: | C29 H27 N3 O5 |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C2c3ccccc3C(N2c2ccccc2C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.242 |
| logD: | 3.242 |
| logSw: | -3.6717 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.289 |
| InChI Key: | ZHMJHTUDMINJDC-HHHXNRCGSA-N |