N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

CAS: 1190932-38-7

Formula: C22H16N2O5S

SMILES: OC1=C(O)C=C(C=C1)C(=O)NC1=NC(=C(S1)C1=CC=CC=C1)C1=CC(O)=C(O)C=C1

IUPAC: N-[4-(3,4-dihydroxyphenyl)-5-phenyl-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide

InChI: InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)

Composition: C (62.85%), H (3.84%), N (6.66%), O (19.03%), S (7.63%)

Molar Mass: 420.44

Atom Count: 46

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	420.077992797
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
InChIKey	LGGDLPSXAGQFSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.88
Topological Polar Surface Area	122.91
Polarizability	45.04
Ring Count	4
Rotatable Bond Count	4

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