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(4Z)-4-({3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl}methylidene)-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4Z)-4-({3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl}methylidene)-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C24H17ClN2O3S

SMILES: COC1=CC=C(C=C2/SC3=NC4=CC=CC=C4N3C2=O)C=C1OCC1=CC=C(Cl)C=C1

IUPAC: (4Z)-4-({3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl}methylidene)-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C24H17ClN2O3S/c1-29-20-11-8-16(12-21(20)30-14-15-6-9-17(25)10-7-15)13-22-23(28)27-19-5-3-2-4-18(19)26-24(27)31-22/h2-13H,14H2,1H3/b22-13-

Composition: C (64.21%), H (3.82%), Cl (7.90%), N (6.24%), O (10.69%), S (7.14%)

Molar Mass: 448.92

Atom Count: 48

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 448.0648413
Formal Charge 0
FSP3 0.08
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey MXOPEPGSQFMTLO-XKZIYDEJSA-N
Lipinski's Rule of Five
Molar Refractivity 123.08
Topological Polar Surface Area 53.35
Polarizability 48.41
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H17ClN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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