N-(4-fluorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
N-(4-fluorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8012-7284 |
| Compound Name: | N-(4-fluorophenyl)-2-[(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 320.39 |
| Molecular Formula: | C15 H17 F N4 O S |
| Smiles: | C1CCc2nnc(n2CC1)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3297 |
| logD: | 2.3295 |
| logSw: | -2.8636 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.994 |
| InChI Key: | ZTEFSVIRHRQQNI-UHFFFAOYSA-N |