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

Formula: C25H19ClN2O4S

SMILES: COC1=CC=CC=C1OCCOC1=CC=C(Cl)C=C1C=C1/SC2=NC3=CC=CC=C3N2C1=O

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

InChI: InChI=1S/C25H19ClN2O4S/c1-30-21-8-4-5-9-22(21)32-13-12-31-20-11-10-17(26)14-16(20)15-23-24(29)28-19-7-3-2-6-18(19)27-25(28)33-23/h2-11,14-15H,12-13H2,1H3/b23-15-

Composition: C (62.69%), H (4.00%), Cl (7.40%), N (5.85%), O (13.36%), S (6.69%)

Molar Mass: 478.95

Atom Count: 52

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 478.075406
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey YJBZQIXPLJCQKD-HAHDFKILSA-N
Lipinski's Rule of Five
Molar Refractivity 129.02
Topological Polar Surface Area 62.58
Polarizability 50.93
Ring Count 5
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H19ClN2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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