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N-(2,4-difluorophenyl)-2-(4-{2-[4-(ethanesulfonyl)phenyl]acetamido}-2-fluorophenyl)-2-methylpropanamide

N-(2,4-difluorophenyl)-2-(4-{2-[4-(ethanesulfonyl)phenyl]acetamido}-2-fluorophenyl)-2-methylpropanamide

CAS: 2068119-11-7

Formula: C26H25F3N2O4S

SMILES: CCS(=O)(=O)C1=CC=C(CC(=O)NC2=CC(F)=C(C=C2)C(C)(C)C(=O)NC2=C(F)C=C(F)C=C2)C=C1

IUPAC: N-(2,4-difluorophenyl)-2-(4-{2-[4-(ethanesulfonyl)phenyl]acetamido}-2-fluorophenyl)-2-methylpropanamide

InChI: InChI=1S/C26H25F3N2O4S/c1-4-36(34,35)19-9-5-16(6-10-19)13-24(32)30-18-8-11-20(21(28)15-18)26(2,3)25(33)31-23-12-7-17(27)14-22(23)29/h5-12,14-15H,4,13H2,1-3H3,(H,30,32)(H,31,33)

Composition: C (60.22%), H (4.86%), F (10.99%), N (5.40%), O (12.34%), S (6.18%)

Molar Mass: 518.55

Atom Count: 61

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 518.148712956
Formal Charge 0
FSP3 0.23
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DZUAIKQCQQBQJM-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 133.62
Topological Polar Surface Area 92.34
Polarizability 49.88
Ring Count 3
Rotatable Bond Count 8

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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2068119-11-7 $249.19-$1,778.76$249.19$412.78$788.86$1,210.05$1,778.76
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