2-(4-{[2-(1H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]methoxy}phenoxymethyl)quinoline

2-(4-{[2-(1H-1,2,3,4-tetrazol-5-ylmethyl)phenyl]methoxy}phenoxymethyl)quinoline

CAS: 120128-20-3

Formula: C25H21N5O2

SMILES: C(OC1=CC=C(OCC2=CC=CC=C2CC2=NN=NN2)C=C1)C1=NC2=CC=CC=C2C=C1

IUPAC: 2-{[4-({2-[(1H-1,2,3,4-tetrazol-5-yl)methyl]phenyl}methoxy)phenoxy]methyl}quinoline

InChI: InChI=1S/C25H21N5O2/c1-2-7-20(19(6-1)15-25-27-29-30-28-25)16-31-22-11-13-23(14-12-22)32-17-21-10-9-18-5-3-4-8-24(18)26-21/h1-14H,15-17H2,(H,27,28,29,30)

Composition: C (70.91%), H (5.00%), N (16.54%), O (7.56%)

Molar Mass: 423.476

Atom Count: 53

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	423.169524936
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	JELDFLOBXROBFH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	123.03
Topological Polar Surface Area	85.81
Polarizability	47.59
Ring Count	5
Rotatable Bond Count	8

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