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

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

Formula: C24H19ClF3N3O6S

SMILES: CCOC(=O)C1=C(NC(=O)C2=CC=C(C)C(=C2)[N+]([O-])=O)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-methyl-3-nitrobenzamido)thiophene-3-carboxylate

InChI: InChI=1S/C24H19ClF3N3O6S/c1-4-37-23(34)18-12(3)19(21(33)29-16-10-14(24(26,27)28)7-8-15(16)25)38-22(18)30-20(32)13-6-5-11(2)17(9-13)31(35)36/h5-10H,4H2,1-3H3,(H,29,33)(H,30,32)

Composition: C (50.58%), H (3.36%), Cl (6.22%), F (10.00%), N (7.37%), O (16.84%), S (5.63%)

Molar Mass: 569.94

Atom Count: 57

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 569.0635187
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey DGRLRRDJSUQJDS-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 137.13
Topological Polar Surface Area 127.64
Polarizability 49.21
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C24H19ClF3N3O6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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