2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y020-7744 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 425.94 |
| Molecular Formula: | C21 H20 Cl N5 O S |
| Smiles: | CCn1c(c2ccc(cc2)[Cl])nnc1SCC(N1C(CC=N1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5601 |
| logD: | 4.5601 |
| logSw: | -4.8637 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.411 |
| InChI Key: | GZDDJMFBMPHJGC-SFHVURJKSA-N |