3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | J021-0185 |
| Compound Name: | 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide |
| Molecular Weight: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2nc(cs2)c2ccccc2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.525 |
| logD: | 5.525 |
| logSw: | -5.3736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.888 |
| InChI Key: | KELKMVNKBNFTIT-UHFFFAOYSA-N |