N-methyl-4-(2-methylpropyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-methyl-4-(2-methylpropyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
N-methyl-4-(2-methylpropyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | CM4206-0844 |
| Compound Name: | N-methyl-4-(2-methylpropyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C18 H26 N4 O3 S |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(C)C1CCC2=NNC(N2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4922 |
| logD: | 3.4857 |
| logSw: | -3.8361 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.579 |
| InChI Key: | AZLQCCQFHXVXLM-HNNXBMFYSA-N |