N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(4-methylphenyl)valinamide
Chemical Structure Depiction of
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(4-methylphenyl)valinamide
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(4-methylphenyl)valinamide
Compound characteristics
| Compound ID: | C646-0231 |
| Compound Name: | N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(4-methylphenyl)valinamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(C)cc1)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2777 |
| logD: | 4.2775 |
| logSw: | -4.2386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.452 |
| InChI Key: | FQYPBOSPJFQOSU-IBGZPJMESA-N |