AC1LWU1A
3-[(4-chlorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: AK-968/40730105|3-[(4-chlorobenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile|3-[(4-chlorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile|3-{[(4-CHLOROPHENYL)METHYL]SULFANYL}-1-(TRIFLUOROMETHYL)-5H,6H,7H-CYCLOPENTA[C]PYRIDINE-4-CARBONITRILE
| Molecular Formula | C17H12ClF3N2S |
|---|---|
| Molecular Weight | 368.0362 g/mol |
| LogP | 5.40648 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.0362 |
| Monoisotopic Mass | 368.0362 |
| Heavy Atoms | 24 |
| Complexity | 810.5561 |
Chemical Identifiers
| CAS Number | 445017-02-7 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=CC=C(C=C3)Cl)C(F)(F)F |
Product Overview
AC1LWU1A (CAS 445017-02-7), with molecular formula C17H12ClF3N2S and molecular weight 368.0362 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
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