AC1N5Z0W structure

AC1N5Z0W

6-[[4-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione

Also Known As: F0648-0880|6-((4-(4-chlorophenyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)pyrimidine-2,4(1H,3H)-dione|6-[[4-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione|6-{[4-(4-chlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-1,2,3,4-tetrahydropyrimidine-2,4-dione

CAS: 852154-99-5
Molecular Formula C21H18ClN5O2S
Molecular Weight 439.08698 g/mol
LogP 3.48882
Topological Polar Surface Area 96.43 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 6
Exact Mass 439.08698
Monoisotopic Mass 439.08698
Heavy Atoms 30
Complexity 1265.4972

Chemical Identifiers

CAS Number 852154-99-5
SMILES CC1=CC=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Cl)CC4=CC(=O)NC(=O)N4

Product Overview

AC1N5Z0W (CAS 852154-99-5), with molecular formula C21H18ClN5O2S and molecular weight 439.08698 g/mol. IUPAC: 6-[[4-(4-chlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione.

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