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ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-(4-methylbenzamido)thiophene-3-carboxylate

ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-(4-methylbenzamido)thiophene-3-carboxylate

Formula: C24H20ClF3N2O4S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(C)C=C2)SC(C(=O)NC2=CC(=CC=C2Cl)C(F)(F)F)=C1C

IUPAC: ethyl 5-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-methyl-2-(4-methylbenzamido)thiophene-3-carboxylate

InChI: InChI=1S/C24H20ClF3N2O4S/c1-4-34-23(33)18-13(3)19(35-22(18)30-20(31)14-7-5-12(2)6-8-14)21(32)29-17-11-15(24(26,27)28)9-10-16(17)25/h5-11H,4H2,1-3H3,(H,29,32)(H,30,31)

Composition: C (54.91%), H (3.84%), Cl (6.75%), F (10.86%), N (5.34%), O (12.19%), S (6.11%)

Molar Mass: 524.94

Atom Count: 55

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 524.0784405
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZCQPLJYFFFKHOG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 130.81
Topological Polar Surface Area 84.5
Polarizability 47.15
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H20ClF3N2O4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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