N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(3-methylphenyl)valinamide
Chemical Structure Depiction of
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(3-methylphenyl)valinamide
N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(3-methylphenyl)valinamide
Compound characteristics
| Compound ID: | C646-0234 |
| Compound Name: | N~2~-(2-methyl-1,3-benzothiazole-6-sulfonyl)-N-(3-methylphenyl)valinamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | CC(C)C(C(Nc1cccc(C)c1)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2143 |
| logD: | 4.2141 |
| logSw: | -4.2593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.452 |
| InChI Key: | NHIDUFGLPMKPNG-IBGZPJMESA-N |