C31H28ClN3O2S structure

C31H28ClN3O2S

(13E)-6-(4-chlorophenyl)-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene

Also Known As: (E)-3-(4-chlorophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine|(9E)-3-(4-chlorophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine

CAS: 799809-97-5
Molecular Formula C31H28ClN3O2S
Molecular Weight 541.15906 g/mol
LogP 7.0984
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 541.15906
Monoisotopic Mass 541.15906
Heavy Atoms 38
Complexity 1475.014

Chemical Identifiers

CAS Number 799809-97-5
SMILES CN1C/C(=C\C2=CC=C(C=C2)OC)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC

Product Overview

C31H28ClN3O2S (CAS 799809-97-5), with molecular formula C31H28ClN3O2S and molecular weight 541.15906 g/mol. IUPAC: (13E)-6-(4-chlorophenyl)-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.

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