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4-(2,4-dichlorophenyl)-12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2,4,7,11(16)-pentaene

4-(2,4-dichlorophenyl)-12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2,4,7,11(16)-pentaene

Formula: C20H19Cl2N5S

SMILES: CC1(C)CC2=C(SC3=C2C2=NC(=NN2C=N3)C2=CC=C(Cl)C=C2Cl)C(C)(C)N1

IUPAC: 4-(2,4-dichlorophenyl)-12,12,14,14-tetramethyl-10-thia-3,5,6,8,13-pentaazatetracyclo[7.7.0.0²,?.0¹¹,¹?]hexadeca-1(9),2,4,7,11(16)-pentaene

InChI: InChI=1S/C20H19Cl2N5S/c1-19(2)8-12-14-17-24-16(11-6-5-10(21)7-13(11)22)25-27(17)9-23-18(14)28-15(12)20(3,4)26-19/h5-7,9,26H,8H2,1-4H3

Composition: C (55.56%), H (4.43%), Cl (16.40%), N (16.20%), S (7.41%)

Molar Mass: 432.37

Atom Count: 47

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 431.0738222
Formal Charge 0
FSP3 0.35
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XLPAFUDGEJGUMV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 135.72
Topological Polar Surface Area 55.11
Polarizability 44.68
Ring Count 5
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H19Cl2N5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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