AC1LRDTI
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone
Also Known As: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone|2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dimethoxyphenyl)ethanone|2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-1-(3,4-DIMETHOXYPHENYL)ETHANONE|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethan-1-one|2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
| Molecular Formula | C23H19ClN4O3S |
|---|---|
| Molecular Weight | 466.08664 g/mol |
| LogP | 4.9749 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 466.08664 |
| Monoisotopic Mass | 466.08664 |
| Heavy Atoms | 32 |
| Complexity | 1229.9874 |
Chemical Identifiers
| CAS Number | 613225-75-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=NC=C4)OC |
Product Overview
AC1LRDTI (CAS 613225-75-5), with molecular formula C23H19ClN4O3S and molecular weight 466.08664 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dimethoxyphenyl)ethanone.