3-methyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
3-methyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
Compound characteristics
| Compound ID: | D336-1933 |
| Compound Name: | 3-methyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7326 |
| logD: | 4.7326 |
| logSw: | -4.4778 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.649 |
| InChI Key: | GJIAJDHKJUXLNZ-UHFFFAOYSA-N |