3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,5-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,5-dimethylphenyl)propanamide
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,5-dimethylphenyl)propanamide
Compound characteristics
Compound ID: | J021-0056 |
Compound Name: | 3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,5-dimethylphenyl)propanamide |
Molecular Weight: | 424.54 |
Molecular Formula: | C21 H20 N4 O2 S2 |
Smiles: | Cc1ccc(C)c(c1)NC(CCc1nc(CSc2nc3ccccc3s2)no1)=O |
Stereo: | ACHIRAL |
logP: | 4.4722 |
logD: | 4.4722 |
logSw: | -4.2601 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.833 |
InChI Key: | IEQBQXFYJJCCMB-UHFFFAOYSA-N |