N-(3,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-5-yl)propanamide

N-(3,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-5-yl)propanamide

CAS: 483995-71-7

Formula: C19H21N5O3

SMILES: COC1=C(O)C=CC(CC(C(=O)NC2=CC(C)=CC(C)=C2)C2=NN=NN2)=C1

IUPAC: N-(3,5-dimethylphenyl)-3-(4-hydroxy-3-methoxyphenyl)-2-(1H-1,2,3,4-tetrazol-5-yl)propanamide

InChI: InChI=1/C19H21N5O3/c1-11-6-12(2)8-14(7-11)20-19(26)15(18-21-23-24-22-18)9-13-4-5-16(25)17(10-13)27-3/h4-8,10,15,25H,9H2,1-3H3,(H,20,26)(H,21,22,23,24)

Composition: C (62.11%), H (5.76%), N (19.06%), O (13.06%)

Molar Mass: 367.409

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	367.164439556
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	WZBFXPIRRCOCED-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.18
Topological Polar Surface Area	113.02
Polarizability	37.98
Ring Count	3
Rotatable Bond Count	6

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90%	<2 Days	483995-71-7		$51.35-$86.31$51.35$63.37$86.31