N-(3-chloro-4-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-(3-chloro-4-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0237 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 451.99 |
| Molecular Formula: | C20 H22 Cl N3 O3 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(C)c(c1)[Cl])=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2446 |
| logD: | 5.24 |
| logSw: | -5.6538 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.452 |
| InChI Key: | SBKIXMUJPMEITA-IBGZPJMESA-N |