N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(2-fluorophenoxy)acetamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(2-fluorophenoxy)acetamide
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(2-fluorophenoxy)acetamide
Compound characteristics
| Compound ID: | D336-2872 |
| Compound Name: | N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(2-fluorophenoxy)acetamide |
| Molecular Weight: | 495.59 |
| Molecular Formula: | C25 H22 F N3 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nc2ccc(cc2s1)NC(COc1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9451 |
| logD: | 5.945 |
| logSw: | -5.4667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.661 |
| InChI Key: | MLGUCAHAXDTZLS-UHFFFAOYSA-N |