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(4Z)-4-({5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4Z)-4-({5-chloro-2-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C26H21ClN2O3S

SMILES: CC1=CC=C(OCCOC2=CC=C(Cl)C=C2C=C2/SC3=NC4=CC=CC=C4N3C2=O)C=C1C

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

InChI: InChI=1S/C26H21ClN2O3S/c1-16-7-9-20(13-17(16)2)31-11-12-32-23-10-8-19(27)14-18(23)15-24-25(30)29-22-6-4-3-5-21(22)28-26(29)33-24/h3-10,13-15H,11-12H2,1-2H3/b24-15-

Composition: C (65.47%), H (4.44%), Cl (7.43%), N (5.87%), O (10.06%), S (6.72%)

Molar Mass: 476.98

Atom Count: 54

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 476.0961414
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QEWHAFPSZUCXOE-IWIPYMOSSA-N
Lipinski's Rule of Five
Molar Refractivity 132.64
Topological Polar Surface Area 53.35
Polarizability 51.94
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H21ClN2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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