AC1LEZ9O
4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
Also Known As: Oprea1_172336|AE-848/15341051|SR-01000448520-1|3-(4-methylphenyl)-2-thioxo-1,2,3,5,6,7,8,9-octahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one|3-(4-methylphenyl)-2-sulfanyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one|3-(4-methylphenyl)-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one|4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one
| Molecular Formula | C18H18N2OS2 |
|---|---|
| Molecular Weight | 342.08606 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.08606 |
| Monoisotopic Mass | 342.08606 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 351007-31-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCCCC4 |
| InChIKey | CTBINQJVBZMRHK-UHFFFAOYSA-N |
Product Overview
AC1LEZ9O (CAS 351007-31-3), with molecular formula C18H18N2OS2 and molecular weight 342.08606 g/mol. IUPAC: 4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-3-one.