AC1N4IRL
[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
Also Known As: SR-01000910858-1|{1-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1H-imidazol-5-yl}methanol|F2200-0521|(1-(benzo[d][1,3]dioxol-5-ylmethyl)-2-((2-chloro-6-fluorobenzyl)thio)-1H-imidazol-5-yl)methanol|[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
| Molecular Formula | C19H16ClFN2O3S |
|---|---|
| Molecular Weight | 406.05542 g/mol |
| LogP | 4.2372 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.05542 |
| Monoisotopic Mass | 406.05542 |
| Heavy Atoms | 27 |
| Complexity | 959.3338 |
Chemical Identifiers
| CAS Number | 921789-75-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN3C(=CN=C3SCC4=C(C=CC=C4Cl)F)CO |
Product Overview
AC1N4IRL (CAS 921789-75-5), with molecular formula C19H16ClFN2O3S and molecular weight 406.05542 g/mol. IUPAC: [3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol.
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