2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(3-methylphenyl)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-(3-methylphenyl)acetamide
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F367-0214 |
| Compound Name: | 2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C25 H20 F N5 O2 S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc2N(Cc3ccc(cc3)F)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2839 |
| logD: | 4.2839 |
| logSw: | -4.3838 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.461 |
| InChI Key: | VCWFBJSWEYXOPJ-UHFFFAOYSA-N |