2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | L849-0545 |
| Compound Name: | 2-({4-ethyl-5-[3-(3-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | CCc1ccc(cc1)NC(CSc1nnc(c2cn(C)nc2c2cccc(c2)OC)n1CC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5315 |
| logD: | 4.5315 |
| logSw: | -4.2106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.743 |
| InChI Key: | HHMYCIXZIYUQPN-UHFFFAOYSA-N |