AC1LXNM7
3-[(2,4-dichlorophenyl)methylsulfanyl]-7-(4-methylphenyl)-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-((2,4-dichlorobenzyl)thio)-4-(p-tolyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one|1-[(2,4-dichlorobenzyl)sulfanyl]-4-(4-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H20Cl2N4OS2 |
|---|---|
| Molecular Weight | 526.04553 g/mol |
| LogP | 6.88122 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 526.04553 |
| Monoisotopic Mass | 526.04553 |
| Heavy Atoms | 34 |
| Complexity | 1618.7996 |
Chemical Identifiers
| CAS Number | 799798-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=C(C=C(C=C5)Cl)Cl)SC6=C3CCCC6 |
Product Overview
AC1LXNM7 (CAS 799798-72-4), with molecular formula C25H20Cl2N4OS2 and molecular weight 526.04553 g/mol. IUPAC: 3-[(2,4-dichlorophenyl)methylsulfanyl]-7-(4-methylphenyl)-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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