methyl N-[(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetyl]-beta-alaninate
methyl N-[(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y043-5167 |
| Compound Name: | methyl N-[(9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetyl]-beta-alaninate |
| Molecular Weight: | 453.45 |
| Molecular Formula: | C23 H23 N3 O7 |
| Smiles: | COC(CCNC(CN1C2c3ccc(c(c3C(N2c2ccccc2C1=O)=O)OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5428 |
| logD: | 0.5428 |
| logSw: | -2.3094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.234 |
| InChI Key: | ZPTDCODQNSFGEY-OAQYLSRUSA-N |