N-{6-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
N-{6-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-0937 |
| Compound Name: | N-{6-[3-(3,5-dimethylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(Nc3cc(C)cc(C)c3)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1564 |
| logD: | 5.1563 |
| logSw: | -4.9656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.24 |
| InChI Key: | SJLZILMUSVUBJM-UHFFFAOYSA-N |