N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)leucinamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)leucinamide
N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)leucinamide
Compound characteristics
| Compound ID: | C583-0099 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)leucinamide |
| Molecular Weight: | 509.07 |
| Molecular Formula: | C21 H21 Cl N4 O3 S3 |
| Smiles: | CC(C)CC(C(Nc1nc2ccc(cc2s1)[Cl])=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1328 |
| logD: | 6.1266 |
| logSw: | -6.127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.492 |
| InChI Key: | IVDJGXLYIBSZFV-KRWDZBQOSA-N |