N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide
Compound characteristics
| Compound ID: | D336-2793 |
| Compound Name: | N-(2-{[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbenzamide |
| Molecular Weight: | 461.6 |
| Molecular Formula: | C25 H23 N3 O2 S2 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4981 |
| logD: | 6.496 |
| logSw: | -5.5549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.289 |
| InChI Key: | KOGKNRUHPHBMCX-UHFFFAOYSA-N |