AC1NA4FO
7-tert-butyl-3-(4-methylphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Oprea1_044245|SR-01000465247-1|7-(tert-butyl)-2-(methylthio)-3-(p-tolyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|7-(TERT-BUTYL)-3-(4-METHYLPHENYL)-2-(METHYLSULFANYL)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|7-tert-butyl-3-(4-methylphenyl)-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|7-tert-butyl-3-(4-methylphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H26N2OS2 |
|---|---|
| Molecular Weight | 398.14865 g/mol |
| LogP | 5.62852 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.14865 |
| Monoisotopic Mass | 398.14865 |
| Heavy Atoms | 27 |
| Complexity | 1055.0819 |
Chemical Identifiers
| CAS Number | 351007-25-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC)SC4=C3CCC(C4)C(C)(C)C |
Product Overview
AC1NA4FO (CAS 351007-25-5), with molecular formula C22H26N2OS2 and molecular weight 398.14865 g/mol. IUPAC: 7-tert-butyl-3-(4-methylphenyl)-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.