AC1LYASH
3-[(4-methoxyphenyl)methyl]-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: Oprea1_004163|Oprea1_410064|BAS 01322153|3-(4-methoxybenzyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|3-[(4-methoxyphenyl)methyl]-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one|AN-512/12673353|3-(4-methoxybenzyl)-2-(propylsulfanyl)-5,6-dihydrospiro(benzo[h]quinazoline-5,1'-cyclohexane)-4(3H)-one|3-(4-methoxybenzyl)-2-(propylthio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one|3-[(4-methoxyphenyl)methyl]-2-propylthiospiro[3,5,6-trihydrobenzo[h]quinazolin e-5,1'-cyclohexane]-4-one
| Molecular Formula | C28H32N2O2S |
|---|---|
| Molecular Weight | 460.21844 g/mol |
| LogP | 6.2273 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.21844 |
| Monoisotopic Mass | 460.21844 |
| Heavy Atoms | 33 |
| Complexity | 1193.5095 |
Chemical Identifiers
| CAS Number | 337495-46-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C(=O)N1CC3=CC=C(C=C3)OC)C4(CCCCC4)CC5=CC=CC=C52 |
Product Overview
AC1LYASH (CAS 337495-46-2), with molecular formula C28H32N2O2S and molecular weight 460.21844 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-2-propylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.