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4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpyrimidine

4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpyrimidine

CAS: 338967-29-6

Formula: C28H26Cl2N4S

SMILES: ClC1=CC=C(CSCC2=CC(=NC(=N2)C2=CC=CC=C2)N2CCN(CC2)C2=CC=CC(Cl)=C2)C=C1

IUPAC: 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpyrimidine

InChI: InChI=1S/C28H26Cl2N4S/c29-23-11-9-21(10-12-23)19-35-20-25-18-27(32-28(31-25)22-5-2-1-3-6-22)34-15-13-33(14-16-34)26-8-4-7-24(30)17-26/h1-12,17-18H,13-16,19-20H2

Composition: C (64.49%), H (5.03%), Cl (13.60%), N (10.74%), S (6.15%)

Molar Mass: 521.5

Atom Count: 61

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 520.1255234
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey WTMXTZMPOMYFOF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 160.77
Topological Polar Surface Area 32.26
Polarizability 57.39
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338967-29-6 $51.35-$86.31$51.35$63.37$86.31
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