N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-ethoxybenzamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-ethoxybenzamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-ethoxybenzamide
Compound characteristics
| Compound ID: | D336-2755 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-ethoxybenzamide |
| Molecular Weight: | 491.63 |
| Molecular Formula: | C26 H25 N3 O3 S2 |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(C)cc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9912 |
| logD: | 5.9909 |
| logSw: | -5.3779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.715 |
| InChI Key: | XNGDDRLKNMLYBM-UHFFFAOYSA-N |