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

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

Formula: C26H22N2O5S

SMILES: COC1=CC(OCCOC2=CC=C(C=C3/SC4=NC5=CC=CC=C5N4C3=O)C=C2OC)=CC=C1

IUPAC: (4Z)-4-({3-methoxy-4-[2-(3-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/C26H22N2O5S/c1-30-18-6-5-7-19(16-18)32-12-13-33-22-11-10-17(14-23(22)31-2)15-24-25(29)28-21-9-4-3-8-20(21)27-26(28)34-24/h3-11,14-16H,12-13H2,1-2H3/b24-15-

Composition: C (65.81%), H (4.67%), N (5.90%), O (16.86%), S (6.76%)

Molar Mass: 474.53

Atom Count: 56

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 474.12494299
Formal Charge 0
FSP3 0.15
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey UTCXZEGSWVWNDP-IWIPYMOSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.68
Topological Polar Surface Area 71.81
Polarizability 51.59
Ring Count 5
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H22N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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