AC1LYYEG
2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid
Also Known As: {[6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid|2-((6,6-dimethyl-3-(2-methylallyl)-4-oxo-4,5,6,8-tetrahydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid|2-[6,6-dimethyl-3-(2-methylprop-2-enyl)-4-oxo-3,5,6-trihydro-8H-pyrimidino[5', 4'-4,5]thiopheno[2,3-c]pyran-2-ylthio]acetic acid
| Molecular Formula | C17H20N2O4S2 |
|---|---|
| Molecular Weight | 380.08646 g/mol |
| LogP | 3.0621 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.08646 |
| Monoisotopic Mass | 380.08646 |
| Heavy Atoms | 25 |
| Complexity | 926.85126 |
Chemical Identifiers
| CAS Number | 351007-05-1 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC(=O)O)SC3=C2CC(OC3)(C)C |
Product Overview
AC1LYYEG (CAS 351007-05-1), with molecular formula C17H20N2O4S2 and molecular weight 380.08646 g/mol. IUPAC: 2-[[12,12-dimethyl-4-(2-methylprop-2-enyl)-3-oxo-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetic acid.