N-(4-bromo-3-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-bromo-3-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-0192 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2ccc(c(C)c2)[Br])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.2869 |
| logD: | 5.2868 |
| logSw: | -5.1843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.113 |
| InChI Key: | SKLYMBNGXMTMII-UHFFFAOYSA-N |