2-[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
2-[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | F367-0589 |
| Compound Name: | 2-[(8-chloro-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C20 H17 Cl F N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccccc1F)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6631 |
| logD: | 3.663 |
| logSw: | -4.1078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.014 |
| InChI Key: | KCNYGDYRPZAKHJ-UHFFFAOYSA-N |