AC1N8PNK
3-benzyl-7-tert-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: Oprea1_132258|SR-01000430453-1|3-benzyl-7-(tert-butyl)-2-(ethylthio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-benzyl-7-tert-butyl-2-(ethylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-benzyl-7-tert-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H28N2OS2 |
|---|---|
| Molecular Weight | 412.1643 g/mol |
| LogP | 5.7693 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.1643 |
| Monoisotopic Mass | 412.1643 |
| Heavy Atoms | 28 |
| Complexity | 1044.38 |
Chemical Identifiers
| CAS Number | 313702-57-7 |
|---|---|
| SMILES | CCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC4=CC=CC=C4 |
Product Overview
AC1N8PNK (CAS 313702-57-7), with molecular formula C23H28N2OS2 and molecular weight 412.1643 g/mol. IUPAC: 3-benzyl-7-tert-butyl-2-ethylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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