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ethyl 2-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

ethyl 2-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

Formula: C16H18F6N2O6

SMILES: CCOC(=O)C(NC(=O)NC1=CC=C(OC)C=C1OC)(OCC(F)(F)F)C(F)(F)F

IUPAC: ethyl 2-{[(2,4-dimethoxyphenyl)carbamoyl]amino}-3,3,3-trifluoro-2-(2,2,2-trifluoroethoxy)propanoate

InChI: InChI=1/C16H18F6N2O6/c1-4-29-12(25)15(16(20,21)22,30-8-14(17,18)19)24-13(26)23-10-6-5-9(27-2)7-11(10)28-3/h5-7H,4,8H2,1-3H3,(H2,23,24,26)

Composition: C (42.87%), H (4.05%), F (25.43%), N (6.25%), O (21.41%)

Molar Mass: 448.318

Atom Count: 48

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 448.106905286
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey HXDIBHJPJFJBCZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.96
Topological Polar Surface Area 95.12
Polarizability 33.27
Ring Count 1
Rotatable Bond Count 11

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18F6N2O6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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