2-({4-ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-({4-ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
2-({4-ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | Y202-9928 |
| Compound Name: | 2-({4-ethyl-5-[2-(4-methylphenyl)cyclopropyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | CCn1c(C2CC2c2ccc(C)cc2)nnc1SCC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7836 |
| logD: | 4.7825 |
| logSw: | -4.5609 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.748 |
| InChI Key: | NREGKOVGZOJEGN-UHFFFAOYSA-N |