N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D336-2718 |
| Compound Name: | N-(2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 453.62 |
| Molecular Formula: | C24 H27 N3 O2 S2 |
| Smiles: | Cc1ccc(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7257 |
| logD: | 5.7256 |
| logSw: | -5.1698 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.783 |
| InChI Key: | SMOSPZOTNRJKTB-UHFFFAOYSA-N |