3-cyano-N-methyl-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
3-cyano-N-methyl-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
3-cyano-N-methyl-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: | S638-2496 |
| Compound Name: | 3-cyano-N-methyl-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: | 361.42 |
| Molecular Formula: | C16 H19 N5 O3 S |
| Smiles: | CN1C(N2CCC(CCC2=N1)N(C)S(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4786 |
| logD: | 1.4785 |
| logSw: | -2.2444 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.985 |
| InChI Key: | LDDUZCYEGMDKIO-ZDUSSCGKSA-N |