ethyl 4-[3-(4-fluorobenzenesulfonamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate

ethyl 4-[3-(4-fluorobenzenesulfonamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate

CAS: 478065-33-7

Formula: C20H18FN3O5S2

SMILES: CCOC(=O)C1=CN=C(SC)N=C1OC1=CC=CC(NS(=O)(=O)C2=CC=C(F)C=C2)=C1

IUPAC: ethyl 4-[3-(4-fluorobenzenesulfonamido)phenoxy]-2-(methylsulfanyl)pyrimidine-5-carboxylate

InChI: InChI=1S/C20H18FN3O5S2/c1-3-28-19(25)17-12-22-20(30-2)23-18(17)29-15-6-4-5-14(11-15)24-31(26,27)16-9-7-13(21)8-10-16/h4-12,24H,3H2,1-2H3

Composition: C (51.83%), H (3.91%), F (4.10%), N (9.07%), O (17.26%), S (13.83%)

Molar Mass: 463.5

Atom Count: 49

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	463.067191203
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	YPCWIPXWFXZUIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	115.8
Topological Polar Surface Area	107.48
Polarizability	44.66
Ring Count	3
Rotatable Bond Count	8

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90%	<2 Days	478065-33-7		$51.35-$86.31$51.35$63.37$86.31