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2-methoxy-4-[14-(4-methoxyphenyl)-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-10-yl]phenyl acetate

2-methoxy-4-[14-(4-methoxyphenyl)-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-10-yl]phenyl acetate

Formula: C29H28N2O5

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C(OC(C)=O)C(OC)=C1

IUPAC: 2-methoxy-4-[14-(4-methoxyphenyl)-12-oxo-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-10-yl]phenyl acetate

InChI: InChI=1/C29H28N2O5/c1-17(32)36-26-13-10-19(16-27(26)35-3)29-28-24(30-22-6-4-5-7-23(22)31-29)14-20(15-25(28)33)18-8-11-21(34-2)12-9-18/h4-13,16,20,29-31H,14-15H2,1-3H3

Composition: C (71.88%), H (5.82%), N (5.78%), O (16.51%)

Molar Mass: 484.552

Atom Count: 64

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 484.19982201
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey YSUWCPMPMHZNAB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 140.43
Topological Polar Surface Area 85.89
Polarizability 52.52
Ring Count 5
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C29H28N2O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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