2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}acetamide
Chemical Structure Depiction of
2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}acetamide
2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y043-7117 |
| Compound Name: | 2-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)-N-{3-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}acetamide |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C27 H22 N6 O4 |
| Smiles: | COCc1nc(c2cccc(c2)NC(CN2C3c4ccccc4C(N3c3ccccc3C2=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8661 |
| logD: | 2.8541 |
| logSw: | -3.5991 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.072 |
| InChI Key: | MZTOYJOGDNCTKH-RUZDIDTESA-N |