methyl 2-[2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-[2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-7115 |
| Compound Name: | methyl 2-[2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)acetamido]-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C25 H22 N4 O5 S |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC(CN2C3c4ccccc4C(N3c3ccccc3C2=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5615 |
| logD: | 3.5213 |
| logSw: | -3.8707 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.863 |
| InChI Key: | DTOIPJXVWUVPTP-OAQYLSRUSA-N |