3-[7-chloro-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-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-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[7-chloro-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L940-0273 |
| Compound Name: | 3-[7-chloro-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C20 H25 Cl N6 O4 |
| Smiles: | CC(C)NC(CCN1C2=NN(CC(NC(C)C)=O)C(N2c2ccc(cc2C1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5287 |
| logD: | 1.5287 |
| logSw: | -2.9249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.348 |
| InChI Key: | KVTBNGKELBCOFP-UHFFFAOYSA-N |