N-(2,5-difluorophenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,5-difluorophenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
N-(2,5-difluorophenyl)-2-{[5-oxo-4-(2-phenylethyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F367-0246 |
| Compound Name: | N-(2,5-difluorophenyl)-2-{[5-oxo-4-(2-phenylethyl)-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: | C(CN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(ccc1F)F)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1613 |
| logD: | 4.1532 |
| logSw: | -4.2652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.742 |
| InChI Key: | JHQWLKSGJVDWIA-UHFFFAOYSA-N |