2-chloro-5-fluoro-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Chemical Structure Depiction of
2-chloro-5-fluoro-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
2-chloro-5-fluoro-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide
Compound characteristics
| Compound ID: | S638-0480 |
| Compound Name: | 2-chloro-5-fluoro-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzamide |
| Molecular Weight: | 338.77 |
| Molecular Formula: | C15 H16 Cl F N4 O2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NC(c1cc(ccc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5239 |
| logD: | 2.5239 |
| logSw: | -3.6142 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.413 |
| InChI Key: | CMSYXOGHQBIRJK-JTQLQIEISA-N |