2-(2-chloro-6-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(2-chloro-6-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
2-(2-chloro-6-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | E683-0423 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C21 H20 Cl F N4 O |
| Smiles: | C1CCc2nnc(c3ccc(cc3)NC(Cc3c(cccc3[Cl])F)=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0639 |
| logD: | 4.0635 |
| logSw: | -4.3953 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.14 |
| InChI Key: | JIQIRLRVKPCYFB-UHFFFAOYSA-N |