3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,6-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,6-dimethylphenyl)propanamide
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,6-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-1527 |
| Compound Name: | 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,6-dimethylphenyl)propanamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cc1cccc(C)c1NC(CCc1nc(CSc2nc3cc(ccc3o2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5171 |
| logD: | 4.517 |
| logSw: | -4.5776 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.717 |
| InChI Key: | QEZBWOWHWHGQOD-UHFFFAOYSA-N |