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ethyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

ethyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

Formula: C27H27ClN2O7S

SMILES: CCOC(=O)C1=C(NC(=O)COC2=CC=C(Cl)C=C2C)SC(C(=O)NC2=CC=CC=C2C(=O)OCC)=C1C

IUPAC: ethyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-5-{[2-(ethoxycarbonyl)phenyl]carbamoyl}-4-methylthiophene-3-carboxylate

InChI: InChI=1S/C27H27ClN2O7S/c1-5-35-26(33)18-9-7-8-10-19(18)29-24(32)23-16(4)22(27(34)36-6-2)25(38-23)30-21(31)14-37-20-12-11-17(28)13-15(20)3/h7-13H,5-6,14H2,1-4H3,(H,29,32)(H,30,31)

Composition: C (58.01%), H (4.87%), Cl (6.34%), N (5.01%), O (20.03%), S (5.73%)

Molar Mass: 559.03

Atom Count: 65

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 558.1227501
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey YMWCWMFEJIBHJI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 146.9
Topological Polar Surface Area 120.03
Polarizability 54.82
Ring Count 3
Rotatable Bond Count 12

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H27ClN2O7S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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