AC1LV1WB
5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: BAS 01579933|2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(p-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(4-methylphenyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C25H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 516.05 g/mol |
| LogP | 7.20602 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.05 |
| Monoisotopic Mass | 516.05 |
| Heavy Atoms | 33 |
| Complexity | 1425.359 |
Chemical Identifiers
| CAS Number | 306294-12-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=C(C=C4)Cl)Cl)SC5=C3CC(OC5)(C)C |
Product Overview
AC1LV1WB (CAS 306294-12-2), with molecular formula C25H22Cl2N2O2S2 and molecular weight 516.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(4-methylphenyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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