N-(butan-2-yl)-3-{2-[(2-chloro-6-fluorophenyl)methyl]-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-chloro-6-fluorophenyl)methyl]-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-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L940-0083 |
| Compound Name: | N-(butan-2-yl)-3-{2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C23 H23 Cl F N5 O3 |
| Smiles: | CCC(C)NC(CCN1C2=NN(Cc3c(cccc3[Cl])F)C(N2c2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3718 |
| logD: | 3.3718 |
| logSw: | -3.9052 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.098 |
| InChI Key: | OTDURBBKBUMJST-AWEZNQCLSA-N |