N-(3-chloro-4-methoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
N-(3-chloro-4-methoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C646-0188 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)valinamide |
| Molecular Weight: | 467.99 |
| Molecular Formula: | C20 H22 Cl N3 O4 S2 |
| Smiles: | CC(C)C(C(Nc1ccc(c(c1)[Cl])OC)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.365 |
| logD: | 4.3577 |
| logSw: | -4.5094 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.082 |
| InChI Key: | GYYJKCXKYCWMDW-IBGZPJMESA-N |