AC1LR9Q0
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 1-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-4-methyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|1-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-4-methyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C20H18N4O3S2 |
|---|---|
| Molecular Weight | 426.08203 g/mol |
| LogP | 3.5425 |
| Topological Polar Surface Area | 70.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.08203 |
| Monoisotopic Mass | 426.08203 |
| Heavy Atoms | 29 |
| Complexity | 1337.4852 |
Chemical Identifiers
| CAS Number | 488804-39-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(N3C1=NN=C3SCC4=CC5=C(C=C4)OCO5)SC6=C2CCCC6 |
Product Overview
AC1LR9Q0 (CAS 488804-39-3), with molecular formula C20H18N4O3S2 and molecular weight 426.08203 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-methyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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