AC1M0ROT
7-(3-chlorophenyl)-13-methyl-3-phenacylsulfanyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: 4-(3-chlorophenyl)-8-methyl-1-((2-oxo-2-phenylethyl)thio)-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|4-(3-chlorophenyl)-8-methyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-6,7,8,9-tetrahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H20ClN5O2S2 |
|---|---|
| Molecular Weight | 521.0747 g/mol |
| LogP | 4.7112 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 521.0747 |
| Monoisotopic Mass | 521.0747 |
| Heavy Atoms | 35 |
| Complexity | 1657.7799 |
Chemical Identifiers
| CAS Number | 848866-75-1 |
|---|---|
| SMILES | CN1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)C5=CC=CC=C5)C6=CC(=CC=C6)Cl |
Product Overview
AC1M0ROT (CAS 848866-75-1), with molecular formula C25H20ClN5O2S2 and molecular weight 521.0747 g/mol. IUPAC: 7-(3-chlorophenyl)-13-methyl-3-phenacylsulfanyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
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