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124750-67-0 | Des[2'-(1H-tetrazol-5-yl)] 2-Cyanolosartan Carboxaldehyde
CAS No: 124750-67-0 Catalog No: AG009EE5 MDL No:
Product Description
Catalog Number:
AG009EE5
Chemical Name:
Des[2'-(1H-tetrazol-5-yl)] 2-Cyanolosartan Carboxaldehyde
CAS Number:
124750-67-0
Molecular Formula:
C22H20ClN3O
Molecular Weight:
377.8667
IUPAC Name:
2-[4-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]phenyl]benzonitrile
InChI:
InChI=1S/C22H20ClN3O/c1-2-3-8-21-25-22(23)20(15-27)26(21)14-16-9-11-17(12-10-16)19-7-5-4-6-18(19)13-24/h4-7,9-12,15H,2-3,8,14H2,1H3
InChI Key:
UYWHRPJKNDNURE-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc(cc1)c1ccccc1C#N)C=O)Cl
EC Number:
603-011-4
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.129g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.872g/mol
Monoisotopic Mass:
377.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Literature
| Title | Journal |
|---|---|
| 2,2-Diphenyl-acetamide. | Acta crystallographica. Section E, Structure reports online 20110801 |
| 2-(4-Methyl-phen-yl)benzonitrile. | Acta crystallographica. Section E, Structure reports online 20110701 |
| 2,2-Diphenyl-4-(piperidin-1-yl)butanamide. | Acta crystallographica. Section E, Structure reports online 20110701 |
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