Oprea1_423134
2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: Oprea1_423134|AK-968/41170739|2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile|2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile|2-amino-4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-5,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H22BrN3OS |
|---|---|
| Molecular Weight | 467.0667 g/mol |
| LogP | 6.04668 |
| Topological Polar Surface Area | 71.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.0667 |
| Monoisotopic Mass | 467.0667 |
| Heavy Atoms | 29 |
| Complexity | 1082.9829 |
Chemical Identifiers
| CAS Number | 445259-74-5 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2=C(C(=NC3=C2CCCC3)N)C#N)COC4=CC=C(C=C4)Br |
Product Overview
Oprea1_423134 (CAS 445259-74-5), with molecular formula C23H22BrN3OS and molecular weight 467.0667 g/mol. IUPAC: 2-amino-4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
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