3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
Compound ID: | J021-1507 |
Compound Name: | 3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide |
Molecular Weight: | 422.5 |
Molecular Formula: | C22 H22 N4 O3 S |
Smiles: | Cc1cc(C)c(c(C)c1)NC(CCc1nc(CSc2nc3ccccc3o2)no1)=O |
Stereo: | ACHIRAL |
logP: | 4.4102 |
logD: | 4.4101 |
logSw: | -4.291 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.717 |
InChI Key: | WHVIMCMREKNEHU-UHFFFAOYSA-N |