2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F367-0222 |
| Compound Name: | 2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide |
| Molecular Weight: | 425.48 |
| Molecular Formula: | C21 H20 F N5 O2 S |
| Smiles: | CC(C)NC(CSc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6836 |
| logD: | 2.6836 |
| logSw: | -3.398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.029 |
| InChI Key: | BARCLHKOZAKXKT-UHFFFAOYSA-N |