3-[2-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-chloro-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[2-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-chloro-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[2-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-chloro-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L940-0266 |
| Compound Name: | 3-[2-{2-[(butan-2-yl)amino]-2-oxoethyl}-7-chloro-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 462.94 |
| Molecular Formula: | C21 H27 Cl N6 O4 |
| Smiles: | CCC(C)NC(CN1C(N2C(=N1)N(CCC(NC(C)C)=O)C(c1cc(ccc12)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9163 |
| logD: | 1.9163 |
| logSw: | -3.2142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.815 |
| InChI Key: | GNKMZVHAIZIHPM-ZDUSSCGKSA-N |