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4-(4-chlorophenyl)-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-(4-chlorophenyl)-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C23H17Cl3N2OS2

SMILES: ClC1=CC=C(C=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC1=CC=C(Cl)C=C1Cl

IUPAC: 4-(4-chlorophenyl)-5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C23H17Cl3N2OS2/c24-14-7-9-16(10-8-14)28-22(29)20-17-3-1-2-4-19(17)31-21(20)27-23(28)30-12-13-5-6-15(25)11-18(13)26/h5-11H,1-4,12H2

Composition: C (54.39%), H (3.37%), Cl (20.94%), N (5.52%), O (3.15%), S (12.63%)

Molar Mass: 507.87

Atom Count: 48

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 505.9847886
Formal Charge 0
FSP3 0.22
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey VSKLAEXYJLMQLX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 132.75
Topological Polar Surface Area 32.67
Polarizability 50.09
Ring Count 5
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H17Cl3N2OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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