AC1MECVE
5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: Oprea1_054884|2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-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-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.4845 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.05 |
| Monoisotopic Mass | 480.05 |
| Heavy Atoms | 30 |
| Complexity | 1214.0485 |
Chemical Identifiers
| CAS Number | 328071-75-6 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CC(OC4)(C)C |
Product Overview
AC1MECVE (CAS 328071-75-6), with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-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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