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

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

CAS: 1933562-00-5

Formula: C24H12N2O2S

SMILES: O=CC1=CC=C(C=C1)C#CC1=CC=C(C#CC2=CC=C(C=O)C=C2)C2=NSN=C12

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

InChI: InChI=1S/C24H12N2O2S/c27-15-19-5-1-17(2-6-19)9-11-21-13-14-22(24-23(21)25-29-26-24)12-10-18-3-7-20(16-28)8-4-18/h1-8,13-16H

Composition: C (73.46%), H (3.08%), N (7.14%), O (8.15%), S (8.17%)

Molar Mass: 392.43

Atom Count: 41

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 392.061948808
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey FUABZJFXIVNTSB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 105.38
Topological Polar Surface Area 59.92
Polarizability 42.9
Ring Count 4
Rotatable Bond Count 6

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