C31H28ClN3S structure

C31H28ClN3S

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

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

CAS: 877804-40-5
Molecular Formula C31H28ClN3S
Molecular Weight 509.16925 g/mol
LogP 7.69804
Topological Polar Surface Area 18.84 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 509.16925
Monoisotopic Mass 509.16925
Heavy Atoms 36
Complexity 1430.6459

Chemical Identifiers

CAS Number 877804-40-5
SMILES CC1=CC=C(C=C1)/C=C/2\CN(CC3=C2N=C4N(C3C5=CC=C(C=C5)C)C(=CS4)C6=CC=C(C=C6)Cl)C

Product Overview

C31H28ClN3S (CAS 877804-40-5), with molecular formula C31H28ClN3S and molecular weight 509.16925 g/mol. IUPAC: (13E)-6-(4-chlorophenyl)-11-methyl-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.

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