4-cyano-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
4-cyano-N-(3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
4-cyano-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: | S638-0383 |
| Compound Name: | 4-cyano-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: | 333.37 |
| Molecular Formula: | C14 H15 N5 O3 S |
| Smiles: | C1CC2=NNC(N2CCC1NS(c1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3315 |
| logD: | 1.3249 |
| logSw: | -2.4322 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.678 |
| InChI Key: | PTTWSEQGPPGAJH-NSHDSACASA-N |