AC1MJ2E8
3-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: Oprea1_566538|Oprea1_638617|BAS 01322165|AN-038/12877001|3-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one|2-(allylsulfanyl)-3-(4-methoxybenzyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one|3-(4-methoxybenzyl)-2-(prop-2-en-1-ylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|2-(allylthio)-3-(4-methoxybenzyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|3-[(4-methoxyphenyl)methyl]-2-prop-2-enylthiospiro[3,5,6-trihydrobenzo[h]quina zoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C28H30N2O2S |
|---|---|
| Molecular Weight | 458.2028 g/mol |
| LogP | 6.0033 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.2028 |
| Monoisotopic Mass | 458.2028 |
| Heavy Atoms | 33 |
| Complexity | 1223.635 |
Chemical Identifiers
| CAS Number | 337495-70-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC=C |
Product Overview
AC1MJ2E8 (CAS 337495-70-2), with molecular formula C28H30N2O2S and molecular weight 458.2028 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-2-prop-2-enylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
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