4-[7-(4-formylphenyl)-2,1,3-benzothiadiazol-4-yl]benzaldehyde

4-[7-(4-formylphenyl)-2,1,3-benzothiadiazol-4-yl]benzaldehyde

CAS: 914651-17-5

Formula: C20H12N2O2S

SMILES: O=CC1=CC=C(C=C1)C1=CC=C(C2=NSN=C12)C1=CC=C(C=O)C=C1

IUPAC: 4-[7-(4-formylphenyl)-2,1,3-benzothiadiazol-4-yl]benzaldehyde

InChI: InChI=1S/C20H12N2O2S/c23-11-13-1-5-15(6-2-13)17-9-10-18(20-19(17)21-25-22-20)16-7-3-14(12-24)4-8-16/h1-12H

Composition: C (69.75%), H (3.51%), N (8.13%), O (9.29%), S (9.31%)

Molar Mass: 344.39

Atom Count: 37

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	344.061948808
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	JDMIEZMXBAUTSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.98
Topological Polar Surface Area	59.92
Polarizability	40.57
Ring Count	4
Rotatable Bond Count	4

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