2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | L849-1136 |
| Compound Name: | 2-({4-ethyl-5-[1-methyl-3-(4-methylphenyl)-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | CCn1c(c2cn(C)nc2c2ccc(C)cc2)nnc1SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3075 |
| logD: | 3.3075 |
| logSw: | -3.4515 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.27 |
| InChI Key: | RROUFVMSFFDFLG-UHFFFAOYSA-N |