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ethyl 2-{N-[4-(trifluoromethyl)phenyl]-4-acetamidobenzenesulfonamido}-1,3-thiazole-4-carboxylate

ethyl 2-{N-[4-(trifluoromethyl)phenyl]-4-acetamidobenzenesulfonamido}-1,3-thiazole-4-carboxylate

CAS: 860783-97-7

Formula: C21H18F3N3O5S2

SMILES: CCOC(=O)C1=CSC(=N1)N(C1=CC=C(C=C1)C(F)(F)F)S(=O)(=O)C1=CC=C(NC(C)=O)C=C1

IUPAC: ethyl 2-{N-[4-(trifluoromethyl)phenyl]-4-acetamidobenzenesulfonamido}-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C21H18F3N3O5S2/c1-3-32-19(29)18-12-33-20(26-18)27(16-8-4-14(5-9-16)21(22,23)24)34(30,31)17-10-6-15(7-11-17)25-13(2)28/h4-12H,3H2,1-2H3,(H,25,28)

Composition: C (49.12%), H (3.53%), F (11.10%), N (8.18%), O (15.58%), S (12.49%)

Molar Mass: 513.51

Atom Count: 52

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 513.063997529
Formal Charge 0
FSP3 0.19
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey XRFJJMDJUYNWKA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.48
Topological Polar Surface Area 105.67
Polarizability 45.02
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 860783-97-7 $51.35-$86.31$51.35$63.37$86.31
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