3-{7-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-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-{7-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide
3-{7-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-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: | L940-0255 |
| Compound Name: | 3-{7-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(propan-2-yl)propanamide |
| Molecular Weight: | 492.34 |
| Molecular Formula: | C22 H20 Cl2 F N5 O3 |
| Smiles: | CC(C)NC(CCN1C2=NN(Cc3c(cccc3[Cl])F)C(N2c2ccc(cc2C1=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.892 |
| logD: | 3.892 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.631 |
| InChI Key: | NSGPAQXHUHHZKY-UHFFFAOYSA-N |