5-chloro-2-methoxy-N-(2-methyl-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
5-chloro-2-methoxy-N-(2-methyl-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl)benzene-1-sulfonamide
5-chloro-2-methoxy-N-(2-methyl-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: | S638-0745 |
| Compound Name: | 5-chloro-2-methoxy-N-(2-methyl-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: | 386.86 |
| Molecular Formula: | C15 H19 Cl N4 O4 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)NS(c1cc(ccc1OC)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7756 |
| logD: | 1.7754 |
| logSw: | -2.9785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.602 |
| InChI Key: | CBIRGQJUOKBOSM-NSHDSACASA-N |