(5Z)-5-({5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione

(5Z)-5-({5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione

CAS: 853953-65-8

Formula: C21H18FN5O5S

SMILES: CC(=O)N1CCN(CC1)C1=CC=C(C(=N1)C1=CC=C(F)C(C=C2/SC(=O)NC2=O)=C1)[N+]([O-])=O

IUPAC: (5Z)-5-({5-[6-(4-acetylpiperazin-1-yl)-3-nitropyridin-2-yl]-2-fluorophenyl}methylidene)-1,3-thiazolidine-2,4-dione

InChI: InChI=1S/C21H18FN5O5S/c1-12(28)25-6-8-26(9-7-25)18-5-4-16(27(31)32)19(23-18)13-2-3-15(22)14(10-13)11-17-20(29)24-21(30)33-17/h2-5,10-11H,6-9H2,1H3,(H,24,29,30)/b17-11-

Composition: C (53.50%), H (3.85%), F (4.03%), N (14.85%), O (16.97%), S (6.80%)

Molar Mass: 471.46

Atom Count: 51

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	471.101268037
Formal Charge	0
FSP3	0.24
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	WZGVKWZJGXGNDP-BOPFTXTBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.43
Topological Polar Surface Area	125.75
Polarizability	45.47
Ring Count	4
Rotatable Bond Count	4

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98.1%	<7 Days	853953-65-8		$327.25-$2,337.50$327.25$542.30$1,028.50$1,589.50$2,337.50

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98%	<5 Days	853953-65-8		$551.06-$3,654.38$551.06$882.70$1,633.00$2,499.30$3,654.38