AC1N8PNK structure

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

CAS: 313702-57-7
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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