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1,3-dimethyl 5-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamido]benzene-1,3-dicarboxylate

1,3-dimethyl 5-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamido]benzene-1,3-dicarboxylate

Formula: C22H23NO8

SMILES: COC(=O)C1=CC(=CC(NC(=O)C=CC2=CC(OC)=C(OC)C(OC)=C2)=C1)C(=O)OC

IUPAC: 1,3-dimethyl 5-[(2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enamido]benzene-1,3-dicarboxylate

InChI: InChI=1S/C22H23NO8/c1-27-17-8-13(9-18(28-2)20(17)29-3)6-7-19(24)23-16-11-14(21(25)30-4)10-15(12-16)22(26)31-5/h6-12H,1-5H3,(H,23,24)/b7-6+

Composition: C (61.53%), H (5.40%), N (3.26%), O (29.81%)

Molar Mass: 429.425

Atom Count: 54

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 429.142366705
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey LIMQSRYYTCBAKB-VOTSOKGWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.78
Topological Polar Surface Area 109.39
Polarizability 42.87
Ring Count 2
Rotatable Bond Count 10

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H23NO8 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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