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ethyl 2-(4-{6-amino-5-cyano-3-methyl-2H,4H-pyrano[2,3-c]pyrazol-4-yl}phenoxy)acetate

ethyl 2-(4-{6-amino-5-cyano-3-methyl-2H,4H-pyrano[2,3-c]pyrazol-4-yl}phenoxy)acetate

Formula: C18H18N4O4

SMILES: CCOC(=O)COC1=CC=C(C=C1)C1C2=C(C)NN=C2OC(N)=C1C#N

IUPAC: ethyl 2-(4-{6-amino-5-cyano-3-methyl-2H,4H-pyrano[2,3-c]pyrazol-4-yl}phenoxy)acetate

InChI: InChI=1/C18H18N4O4/c1-3-24-14(23)9-25-12-6-4-11(5-7-12)16-13(8-19)17(20)26-18-15(16)10(2)21-22-18/h4-7,16H,3,9,20H2,1-2H3,(H,21,22)

Composition: C (61.01%), H (5.12%), N (15.81%), O (18.06%)

Molar Mass: 354.366

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 354.132805076
Formal Charge 0
FSP3 0.28
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey XUZUMHZEVGLWDW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.3
Topological Polar Surface Area 123.25
Polarizability 35.4
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C18H18N4O4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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