N-{6-[3-(3-methoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[3-(3-methoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
N-{6-[3-(3-methoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-0868 |
| Compound Name: | N-{6-[3-(3-methoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(C)C(Nc1nc2ccc(CCC(Nc3cccc(c3)OC)=O)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5298 |
| logD: | 4.5297 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.784 |
| InChI Key: | GMRHLJMVGKELBU-UHFFFAOYSA-N |