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ethyl candesartan

ethyl candesartan

CAS: 139481-58-6

Formula: C26H24N6O3

SMILES: CCOC(=O)C1=C2N(CC3=CC=C(C=C3)C3=C(C=CC=C3)C3=NNN=N3)C(OCC)=NC2=CC=C1

IUPAC: ethyl 2-ethoxy-1-{[2'-(2H-1,2,3,4-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl}-1H-1,3-benzodiazole-7-carboxylate

InChI: InChI=1S/C26H24N6O3/c1-3-34-25(33)21-10-7-11-22-23(21)32(26(27-22)35-4-2)16-17-12-14-18(15-13-17)19-8-5-6-9-20(19)24-28-30-31-29-24/h5-15H,3-4,16H2,1-2H3,(H,28,29,30,31)

Composition: C (66.65%), H (5.16%), N (17.94%), O (10.24%)

Molar Mass: 468.517

Atom Count: 59

Heavy Atom Count: 35

Properties
Properties
Common Names ethyl candesartan
Aromatic Ring Count 5
Asymmetric Atom Count 0
Exact Mass 468.190988657
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey BCPWNYREAURMOP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 144.44
Topological Polar Surface Area 107.81
Polarizability 52.93
Ring Count 5
Rotatable Bond Count 9

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