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methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enoate

methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enoate

Formula: C22H23NO5

SMILES: COC(=O)C(NC(=O)C1=CC=C(C=C1)C(C)(C)C)=CC1=CC=C2OCOC2=C1

IUPAC: methyl (2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-[(4-tert-butylphenyl)formamido]prop-2-enoate

InChI: InChI=1S/C22H23NO5/c1-22(2,3)16-8-6-15(7-9-16)20(24)23-17(21(25)26-4)11-14-5-10-18-19(12-14)28-13-27-18/h5-12H,13H2,1-4H3,(H,23,24)/b17-11-

Composition: C (69.28%), H (6.08%), N (3.67%), O (20.97%)

Molar Mass: 381.428

Atom Count: 51

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 381.157622845
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey JGQMRVQLHFXRLV-BOPFTXTBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106
Topological Polar Surface Area 73.86
Polarizability 40.4
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C22H23NO5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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