N-(2,5-difluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(2,5-difluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0110 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H21 F2 N5 O2 S |
| Smiles: | CC(C)CCN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(ccc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0388 |
| logD: | 4.0307 |
| logSw: | -4.1351 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.014 |
| InChI Key: | HBYGCVZCRDCTSY-UHFFFAOYSA-N |