N-(2,4-difluorophenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
N-(2,4-difluorophenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F367-0193 |
| Compound Name: | N-(2,4-difluorophenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C25 H19 F2 N5 O2 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCC(Nc2ccc(cc2F)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2342 |
| logD: | 4.2275 |
| logSw: | -4.3354 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.764 |
| InChI Key: | XRAPENYKNDYVQK-UHFFFAOYSA-N |