AC1MWL5D
7-cyclohexyl-3-(2-methylprop-2-enylsulfanyl)-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: Oprea1_119255|SR-01000454708-1|4-cyclohexyl-1-((2-methylallyl)thio)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|4-cyclohexyl-1-[(2-methylprop-2-en-1-yl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C21H26N4OS2 |
|---|---|
| Molecular Weight | 414.15482 g/mol |
| LogP | 5.1579 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.15482 |
| Monoisotopic Mass | 414.15482 |
| Heavy Atoms | 28 |
| Complexity | 1117.261 |
Chemical Identifiers
| CAS Number | 351007-67-5 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5CCCCC5 |
Product Overview
AC1MWL5D (CAS 351007-67-5), with molecular formula C21H26N4OS2 and molecular weight 414.15482 g/mol. IUPAC: 7-cyclohexyl-3-(2-methylprop-2-enylsulfanyl)-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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