N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
Chemical Structure Depiction of
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide
Compound characteristics
| Compound ID: | C583-0147 |
| Compound Name: | N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-[3-(methylsulfanyl)phenyl]leucinamide |
| Molecular Weight: | 463.64 |
| Molecular Formula: | C21 H25 N3 O3 S3 |
| Smiles: | CC(C)CC(C(Nc1cccc(c1)SC)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0242 |
| logD: | 5.0241 |
| logSw: | -4.6348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.73 |
| InChI Key: | NYFHMKWJAXMZHY-IBGZPJMESA-N |