3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | Y043-6068 |
| Compound Name: | 3-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COCc1nnc(NC(CCN2C3c4ccccc4C(N3c3ccccc3C2=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8023 |
| logD: | 1.6984 |
| logSw: | -2.669 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.315 |
| InChI Key: | CRXXIONVWASPJK-LJQANCHMSA-N |