3,4-dichloro-N-methyl-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
3,4-dichloro-N-methyl-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
3,4-dichloro-N-methyl-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: | CM4206-1419 |
| Compound Name: | 3,4-dichloro-N-methyl-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: | 391.27 |
| Molecular Formula: | C14 H16 Cl2 N4 O3 S |
| Smiles: | CN(C1CCC2=NNC(N2CC1)=O)S(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0519 |
| logD: | 3.0454 |
| logSw: | -3.5866 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.579 |
| InChI Key: | JTBCYGHAQWBMIO-VIFPVBQESA-N |