N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
Compound ID: | D336-2903 |
Compound Name: | N-(2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
Molecular Weight: | 475.63 |
Molecular Formula: | C26 H25 N3 O2 S2 |
Smiles: | Cc1cc(C)cc(c1)NC(CSc1nc2ccc(cc2s1)NC(CCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.2086 |
logD: | 6.2085 |
logSw: | -5.4304 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.076 |
InChI Key: | MJNTXFNEHMPDAY-UHFFFAOYSA-N |