AC1LYR82
12,12-dimethyl-5-(3-methylbutylsulfanyl)-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_296708|2-(isopentylthio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|6,6-dimethyl-2-[(3-methylbutyl)sulfanyl]-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C20H28N2O2S2 |
|---|---|
| Molecular Weight | 392.1592 g/mol |
| LogP | 5.0236 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.1592 |
| Monoisotopic Mass | 392.1592 |
| Heavy Atoms | 26 |
| Complexity | 893.32874 |
Chemical Identifiers
| CAS Number | 369606-24-6 |
|---|---|
| SMILES | CC(C)CCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)N1CC(=C)C |
Product Overview
AC1LYR82 (CAS 369606-24-6), with molecular formula C20H28N2O2S2 and molecular weight 392.1592 g/mol. IUPAC: 12,12-dimethyl-5-(3-methylbutylsulfanyl)-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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