N-[6-(3-{[(4-ethoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Chemical Structure Depiction of
N-[6-(3-{[(4-ethoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
N-[6-(3-{[(4-ethoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide
Compound characteristics
Compound ID: | F222-1080 |
Compound Name: | N-[6-(3-{[(4-ethoxyphenyl)methyl]amino}-3-oxopropyl)-1,3-benzothiazol-2-yl]-2-methylpropanamide |
Molecular Weight: | 425.55 |
Molecular Formula: | C23 H27 N3 O3 S |
Smiles: | CCOc1ccc(CNC(CCc2ccc3c(c2)sc(NC(C(C)C)=O)n3)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.5326 |
logD: | 4.5325 |
logSw: | -4.2827 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 64.686 |
InChI Key: | QKRYHOSFAJYDET-UHFFFAOYSA-N |