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 |