N-[4-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Chemical Structure Depiction of
N-[4-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
N-[4-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide
Compound characteristics
| Compound ID: | D291-0015 |
| Compound Name: | N-[4-(4-ethyl-5-{[(4-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)-1,2,5-oxadiazol-3-yl]acetamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C16 H18 N6 O2 S |
| Smiles: | CCn1c(c2c(NC(C)=O)non2)nnc1SCc1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.785 |
| logD: | 2.7802 |
| logSw: | -3.0799 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.255 |
| InChI Key: | RAUWQWSLWBKJTF-UHFFFAOYSA-N |