N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide
Compound characteristics
| Compound ID: | D336-2857 |
| Compound Name: | N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2,2-dimethylpropanamide |
| Molecular Weight: | 427.59 |
| Molecular Formula: | C22 H25 N3 O2 S2 |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nc2ccc(cc2s1)NC(C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4236 |
| logD: | 5.4235 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.56 |
| InChI Key: | FRBFCPOXUYJUHJ-UHFFFAOYSA-N |