AC1M3RZK
1-(1,3-benzodioxol-5-yl)-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone
Also Known As: F3394-1295|1-(2H-1,3-benzodioxol-5-yl)-2-({10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)ethan-1-one|1-(1,3-benzodioxol-5-yl)-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone|1-(2H-1,3-benzodioxol-5-yl)-2-{10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.0(2),]dodeca-1(8),2(6),9,11-tetraen-12-ylthio}-1-ethanone|1-(benzo[d][1,3]dioxol-5-yl)-2-((2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)ethanone
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.0759 g/mol |
| LogP | 4.4461 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.0759 |
| Monoisotopic Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 1061.0518 |
Chemical Identifiers
| CAS Number | 690643-75-5 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)C4=CC5=C(C=C4)OCO5 |
Product Overview
AC1M3RZK (CAS 690643-75-5), with molecular formula C20H18N2O3S2 and molecular weight 398.0759 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[(10-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]ethanone.
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