AC1LPM69
5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: UPCMLD0ENAT5890197:001|F3394-0688|3-allyl-2-((2-(benzo[d][1,3]dioxol-5-yl)-2-oxoethyl)thio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one|5-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7),5-trien-3-one|4-allyl-5-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethylthio]-8-thia-4,6-diazatricyclo[7.5.0.0(2),]tetradeca-1(9),2(7),5-trien-3-one|5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
| Molecular Formula | C23H22N2O4S2 |
|---|---|
| Molecular Weight | 454.1021 g/mol |
| LogP | 4.6166 |
| Topological Polar Surface Area | 70.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.1021 |
| Monoisotopic Mass | 454.1021 |
| Heavy Atoms | 31 |
| Complexity | 1244.5828 |
Chemical Identifiers
| CAS Number | 690642-76-3 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC4=C(C=C3)OCO4)SC5=C2CCCCC5 |
Product Overview
AC1LPM69 (CAS 690642-76-3), with molecular formula C23H22N2O4S2 and molecular weight 454.1021 g/mol. IUPAC: 5-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
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