3-[2-(2-{[(4-methylphenyl)methyl]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-[2-(2-{[(4-methylphenyl)methyl]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-[2-(2-{[(4-methylphenyl)methyl]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: | L940-0051 |
| Compound Name: | 3-[2-(2-{[(4-methylphenyl)methyl]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: | 476.53 |
| Molecular Formula: | C25 H28 N6 O4 |
| Smiles: | CC(C)NC(CCN1C2=NN(CC(NCc3ccc(C)cc3)=O)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9594 |
| logD: | 1.9594 |
| logSw: | -2.829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.102 |
| InChI Key: | QVZSJIFKUQKFQA-UHFFFAOYSA-N |