3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Chemical Structure Depiction of
3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
Compound characteristics
| Compound ID: | C741-0179 |
| Compound Name: | 3-{4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C26 H27 F N6 O3 |
| Smiles: | C1CC(N(C1)CCCNC(CCc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5935 |
| logD: | 0.5935 |
| logSw: | -2.3195 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.532 |
| InChI Key: | XPBNJEQCQNNTRP-UHFFFAOYSA-N |