N-(4-acetylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-(4-acetylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0006 |
| Compound Name: | N-(4-acetylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(cc1)C(C)=O)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3964 |
| logD: | 3.3908 |
| logSw: | -3.8139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.279 |
| InChI Key: | PLZCZTLKVFYUBX-FQEVSTJZSA-N |