3-[7-chloro-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-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-[7-chloro-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[7-chloro-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-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: | L940-0271 |
| Compound Name: | 3-[7-chloro-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 496.95 |
| Molecular Formula: | C24 H25 Cl N6 O4 |
| Smiles: | CC(C)NC(CCN1C2=NN(CC(N(C)c3ccccc3)=O)C(N2c2ccc(cc2C1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0625 |
| logD: | 2.0625 |
| logSw: | -3.3518 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.744 |
| InChI Key: | KHYVTUIIWRKVCW-UHFFFAOYSA-N |