N-(butan-2-yl)-3-{2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-{2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-(butan-2-yl)-3-{2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L940-0112 |
| Compound Name: | N-(butan-2-yl)-3-{2-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C25 H27 F N6 O4 |
| Smiles: | CCC(C)NC(CCN1C2=NN(CC(Nc3ccc(C)c(c3)F)=O)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9957 |
| logD: | 2.9956 |
| logSw: | -3.4693 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.247 |
| InChI Key: | XAYJHECHDGSDGM-INIZCTEOSA-N |