3-{2-[2-(3-chloro-4-methylanilino)-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-(3-chloro-4-methylanilino)-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-(3-chloro-4-methylanilino)-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: | L940-0047 |
| Compound Name: | 3-{2-[2-(3-chloro-4-methylanilino)-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(Nc3ccc(C)c(c3)[Cl])=O)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3485 |
| logD: | 3.3484 |
| logSw: | -3.7746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.78 |
| InChI Key: | KJOPPVICLYXVKV-UHFFFAOYSA-N |