N-(3,5-dimethylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(3,5-dimethylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-1336 |
| Compound Name: | N-(3,5-dimethylphenyl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CCc1nc(CSc2nnc(c3ccccc3)[nH]2)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6804 |
| logD: | 2.4797 |
| logSw: | -3.8918 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.957 |
| InChI Key: | TWRWWVNVBUUPAI-UHFFFAOYSA-N |