N-(4-chloro-2-methylphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(4-chloro-2-methylphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-chloro-2-methylphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-3239 |
| Compound Name: | N-(4-chloro-2-methylphenyl)-3-(3-{[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 392.86 |
| Molecular Formula: | C16 H17 Cl N6 O2 S |
| Smiles: | Cc1cc(ccc1NC(CCc1nc(CSc2nnc(C)[nH]2)no1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.182 |
| logD: | 1.7568 |
| logSw: | -3.2128 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.143 |
| InChI Key: | JPIPEBRITBASMJ-UHFFFAOYSA-N |