N-(2,6-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(2,6-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-1512 |
| Compound Name: | N-(2,6-dimethylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2c(C)cccc2C)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.297 |
| logD: | 4.297 |
| logSw: | -4.2622 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.717 |
| InChI Key: | MLJQPOQXMGMOGO-UHFFFAOYSA-N |