3-[2-(cyanomethyl)-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-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[2-(cyanomethyl)-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: | L940-0024 |
| Compound Name: | 3-[2-(cyanomethyl)-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C17 H18 N6 O3 |
| Smiles: | CC(C)NC(CCN1C2=NN(CC#N)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4003 |
| logD: | 0.4003 |
| logSw: | -2.3413 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.373 |
| InChI Key: | LMHWALYUQBLTLP-UHFFFAOYSA-N |