AC1LY3A8
5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((2-(4-fluorophenyl)-2-oxoethyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C26H23FN2O3S2 |
|---|---|
| Molecular Weight | 494.1134 g/mol |
| LogP | 5.72102 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.1134 |
| Monoisotopic Mass | 494.1134 |
| Heavy Atoms | 34 |
| Complexity | 1454.925 |
Chemical Identifiers
| CAS Number | 799778-07-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CC=C(C=C4)F)SC5=C3CC(OC5)(C)C |
Product Overview
AC1LY3A8 (CAS 799778-07-7), with molecular formula C26H23FN2O3S2 and molecular weight 494.1134 g/mol. IUPAC: 5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-12,12-dimethyl-4-(4-methylphenyl)-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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