AC1LKEHH
4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione
Also Known As: Oprea1_493236|AN-465/41519919|SR-01000264153-1|4-((3-Chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzyl)amino)-4H-1,2,4-triazole-3-thiol|4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione|4-({3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-4H-1,2,4-triazole-3-thiol|4-[3-Chloro-4-(4-fluoro-benzyloxy)-5-methoxy-benzylamino]-4H-[1,2,4]triazole-3-thiol|4-({3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}amino)-4H-1,2,4-triazol-3-yl hydrosulfide|N/A
| Molecular Formula | C17H16ClFN4O2S |
|---|---|
| Molecular Weight | 394.06665 g/mol |
| LogP | 4.06449 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.06665 |
| Monoisotopic Mass | 394.06665 |
| Heavy Atoms | 26 |
| Complexity | 942.6811 |
Chemical Identifiers
| CAS Number | 665013-56-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CNN2C=NNC2=S)Cl)OCC3=CC=C(C=C3)F |
Product Overview
AC1LKEHH (CAS 665013-56-9), with molecular formula C17H16ClFN4O2S and molecular weight 394.06665 g/mol. IUPAC: 4-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-1H-1,2,4-triazole-5-thione.
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