2-chloro-6-fluoro-N-methyl-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-6-fluoro-N-methyl-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-6-fluoro-N-methyl-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: | S638-2029 |
| Compound Name: | 2-chloro-6-fluoro-N-methyl-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: | 352.79 |
| Molecular Formula: | C16 H18 Cl F N4 O2 |
| Smiles: | CN(C1CCC2=NN(C)C(N2CC1)=O)C(c1c(cccc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.95 |
| logD: | 1.95 |
| logSw: | -2.8955 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.477 |
| InChI Key: | OXCDCWMHBNEYHH-JTQLQIEISA-N |