N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide
Compound characteristics
Compound ID: | D336-1945 |
Compound Name: | N-(2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)acetamide |
Molecular Weight: | 477.6 |
Molecular Formula: | C25 H23 N3 O3 S2 |
Smiles: | Cc1cccc(c1)OCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.46 |
logD: | 5.46 |
logSw: | -5.3669 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.877 |
InChI Key: | NGGVUHMVJXIOQK-UHFFFAOYSA-N |