1-(3,4-dimethylphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
Chemical Structure Depiction of
1-(3,4-dimethylphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
1-(3,4-dimethylphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide
Compound characteristics
| Compound ID: | S638-0376 |
| Compound Name: | 1-(3,4-dimethylphenyl)-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)methanesulfonamide |
| Molecular Weight: | 350.44 |
| Molecular Formula: | C16 H22 N4 O3 S |
| Smiles: | Cc1ccc(CS(NC2CCC3=NNC(N3CC2)=O)(=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5475 |
| logD: | 2.541 |
| logSw: | -2.7851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.249 |
| InChI Key: | ZXAWVTHACIYTGT-AWEZNQCLSA-N |