200,000+ products from a single source!
sales@angenechem.com
141872-46-0 | 5-Pyrimidinecarboxylic acid, 4-[butyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS No: 141872-46-0 Catalog No: AG001HB3 MDL No:
Product Description
Catalog Number:
AG001HB3
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-[butyl[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]amino]-
CAS Number:
141872-46-0
Molecular Formula:
C23H23N7O2
Molecular Weight:
429.4744
IUPAC Name:
4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C23H23N7O2/c1-2-3-12-30(22-20(23(31)32)13-24-15-25-22)14-16-8-10-17(11-9-16)18-6-4-5-7-19(18)21-26-28-29-27-21/h4-11,13,15H,2-3,12,14H2,1H3,(H,31,32)(H,26,27,28,29)
InChI Key:
AHZXSVWCNDLJER-UHFFFAOYSA-N
SMILES:
CCCCN(c1ncncc1C(=O)O)Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.191g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
429.484g/mol
Monoisotopic Mass:
429.191g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.