4-(2-{6-fluoro-7-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)benzaldehyde

4-(2-{6-fluoro-7-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)benzaldehyde

Formula: C24H11FN2O2S

SMILES: FC1=C(C#CC2=CC=C(C=O)C=C2)C2=NSN=C2C(=C1)C#CC1=CC=C(C=O)C=C1

IUPAC: 4-(2-{6-fluoro-7-[2-(4-formylphenyl)ethynyl]-2,1,3-benzothiadiazol-4-yl}ethynyl)benzaldehyde

InChI: InChI=1S/C24H11FN2O2S/c25-22-13-20(11-9-16-1-5-18(14-28)6-2-16)23-24(27-30-26-23)21(22)12-10-17-3-7-19(15-29)8-4-17/h1-8,13-15H

Composition: C (70.24%), H (2.70%), F (4.63%), N (6.83%), O (7.80%), S (7.81%)

Molar Mass: 410.42

Atom Count: 41

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	410.052526939
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HFIAZMRFUTWALV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	105.6
Topological Polar Surface Area	59.92
Polarizability	42.55
Ring Count	4
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C24H11FN2O2S		Quote Only