N-cyclooctyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-cyclooctyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-cyclooctyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0053 |
| Compound Name: | N-cyclooctyl-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 437.62 |
| Molecular Formula: | C21 H31 N3 O3 S2 |
| Smiles: | CC(C)C(C(NC1CCCCCCC1)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1772 |
| logD: | 5.1769 |
| logSw: | -4.8901 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.83 |
| InChI Key: | PWYUPEJSCTYWGL-FQEVSTJZSA-N |