N-{6-[3-(4-ethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[3-(4-ethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
N-{6-[3-(4-ethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | F222-0904 |
| Compound Name: | N-{6-[3-(4-ethoxyanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl}-2-methylpropanamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)NC(CCc1ccc2c(c1)sc(NC(C(C)C)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8324 |
| logD: | 4.8323 |
| logSw: | -4.468 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.364 |
| InChI Key: | BMQKBAITJWOGJL-UHFFFAOYSA-N |