N-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(propan-2-yl)benzene-1-sulfonamide
N-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-0832 |
| Compound Name: | N-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-4-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 364.46 |
| Molecular Formula: | C17 H24 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N(C)C1CCC2=NNC(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1499 |
| logD: | 3.1434 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.579 |
| InChI Key: | ZDNCBBAWVWLTCJ-AWEZNQCLSA-N |