2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F367-0209 |
| Compound Name: | 2-({4-[(4-fluorophenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 487.55 |
| Molecular Formula: | C26 H22 F N5 O2 S |
| Smiles: | Cc1ccc(CNC(CSc2nnc3N(Cc4ccc(cc4)F)C(c4ccccc4n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0287 |
| logD: | 4.0287 |
| logSw: | -4.2452 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.784 |
| InChI Key: | PWODNQBHEYUQBG-UHFFFAOYSA-N |