AC1LYKN5
2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Also Known As: 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile|2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile|2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
| Molecular Formula | C26H30N2OS |
|---|---|
| Molecular Weight | 418.2079 g/mol |
| LogP | 7.31008 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.2079 |
| Monoisotopic Mass | 418.2079 |
| Heavy Atoms | 30 |
| Complexity | 1047.1036 |
Chemical Identifiers
| CAS Number | 634593-33-2 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C(=C(S2)NCC3=C(C=CC4=CC=CC=C43)O)C#N |
Product Overview
AC1LYKN5 (CAS 634593-33-2), with molecular formula C26H30N2OS and molecular weight 418.2079 g/mol. IUPAC: 2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile.
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