3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-1666 |
| Compound Name: | 3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2,4,6-trimethylphenyl)propanamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CCc1nc(CSc2nnc(c3ccccc3)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5006 |
| logD: | 2.2999 |
| logSw: | -3.7433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.561 |
| InChI Key: | KMFGDMXPLGCMNT-UHFFFAOYSA-N |