N-[(3,4-dimethoxyphenyl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
N-[(3,4-dimethoxyphenyl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-7561 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | COc1ccc(CNC(CCCN2C3c4ccccc4C(N3c3ccccc3C2=O)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9338 |
| logD: | 1.9338 |
| logSw: | -2.7781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.434 |
| InChI Key: | MLCDRMJVNKFVCA-AREMUKBSSA-N |