N-(2-benzyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-methylethanesulfonamide
Chemical Structure Depiction of
N-(2-benzyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-methylethanesulfonamide
N-(2-benzyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-methylethanesulfonamide
Compound characteristics
| Compound ID: | CM4206-7617 |
| Compound Name: | N-(2-benzyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-N-methylethanesulfonamide |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | CCS(N(C)C1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0964 |
| logD: | 2.0964 |
| logSw: | -2.4719 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.144 |
| InChI Key: | WLQUNLYNLLPBCK-HNNXBMFYSA-N |