200,000+ products from a single source!
sales@angenechem.com
168152-89-4 | [1,2,4]Triazolo[1,5-a]pyrimidin-5(1H)-one, 2-(diethylamino)-7-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS No: 168152-89-4 Catalog No: AG001XW3 MDL No:
Product Description
Catalog Number:
AG001XW3
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-5(1H)-one, 2-(diethylamino)-7-propyl-6-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-
CAS Number:
168152-89-4
Molecular Formula:
C26H29N9O
Molecular Weight:
483.5682
IUPAC Name:
2-(diethylamino)-7-propyl-6-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C26H29N9O/c1-4-9-22-21(24(36)27-25-28-26(31-35(22)25)34(5-2)6-3)16-17-12-14-18(15-13-17)19-10-7-8-11-20(19)23-29-32-33-30-23/h7-8,10-15H,4-6,9,16H2,1-3H3,(H,27,28,31,36)(H,29,30,32,33)
InChI Key:
STOJFZHKRSTBNE-UHFFFAOYSA-N
SMILES:
CCCc1c(Cc2ccc(cc2)c2ccccc2c2n[nH]nn2)c(=O)nc2n1[nH]c(n2)N(CC)CC
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.25g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
483.58g/mol
Monoisotopic Mass:
483.25g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.