N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide
Compound characteristics
| Compound ID: | D336-2710 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)propanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5002 |
| logD: | 4.5002 |
| logSw: | -4.2364 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.649 |
| InChI Key: | HGZADNRNTHLMSD-UHFFFAOYSA-N |