2,2-dimethyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
2,2-dimethyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
2,2-dimethyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | D336-1934 |
| Compound Name: | 2,2-dimethyl-N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 413.56 |
| Molecular Formula: | C21 H23 N3 O2 S2 |
| Smiles: | Cc1ccccc1NC(CSc1nc2ccc(cc2s1)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5255 |
| logD: | 4.5254 |
| logSw: | -4.2767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.863 |
| InChI Key: | DBEDSHNUXLAGET-UHFFFAOYSA-N |