N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,1,3-benzothiadiazole-4-sulfonamide
N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | S638-0740 |
| Compound Name: | N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C14 H16 N6 O3 S2 |
| Smiles: | CN1C(N2CCC(CCC2=N1)NS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3311 |
| logD: | 1.3267 |
| logSw: | -2.1212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.924 |
| InChI Key: | MGUFFEUNPWGAGY-VIFPVBQESA-N |