AC1MRLI2
[2-[(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)amino]-2-oxoethyl] N,N-diphenylcarbamimidothioate
Also Known As: [2-[(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)amino]-2-oxoethyl] N,N-diphenylcarbamimidothioate|2-((3'-cyano-1'H-spiro[cyclohexane-1,2'-naphthalen]-4'-yl)amino)-2-oxoethyl diphenylcarbamimidothioate|2-[(3'-cyano-1'H-spiro[cyclohexane-1,2'-naphthalen]-4'-yl)amino]-2-oxoethyl N,N-diphenylcarbamimidothioate
| Molecular Formula | C31H30N4OS |
|---|---|
| Molecular Weight | 506.21402 g/mol |
| LogP | 7.05035 |
| Topological Polar Surface Area | 79.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.21402 |
| Monoisotopic Mass | 506.21402 |
| Heavy Atoms | 37 |
| Complexity | 1315.2152 |
Chemical Identifiers
| CAS Number | 489463-15-2 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C(=C2C#N)NC(=O)CSC(=N)N(C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
AC1MRLI2 (CAS 489463-15-2), with molecular formula C31H30N4OS and molecular weight 506.21402 g/mol. IUPAC: [2-[(2-cyanospiro[4H-naphthalene-3,1'-cyclohexane]-1-yl)amino]-2-oxoethyl] N,N-diphenylcarbamimidothioate.
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