200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 168152-80-5
168152-80-5 | [1,2,4]Triazolo[1,5-a]pyrimidin-5(1H)-one, 7-propyl-6-[[4-[3-(2H-tetrazol-5-yl)-2-thienyl]phenyl]methyl]-
CAS No: 168152-80-5 Catalog No: AG001XV1 MDL No:
Product Description
Catalog Number:
AG001XV1
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-5(1H)-one, 7-propyl-6-[[4-[3-(2H-tetrazol-5-yl)-2-thienyl]phenyl]methyl]-
CAS Number:
168152-80-5
Molecular Formula:
C20H18N8OS
Molecular Weight:
418.4749
IUPAC Name:
7-propyl-6-[[4-[3-(2H-tetrazol-5-yl)thiophen-2-yl]phenyl]methyl]-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
InChI:
InChI=1S/C20H18N8OS/c1-2-3-16-15(19(29)23-20-21-11-22-28(16)20)10-12-4-6-13(7-5-12)17-14(8-9-30-17)18-24-26-27-25-18/h4-9,11H,2-3,10H2,1H3,(H,21,22,23,29)(H,24,25,26,27)
InChI Key:
BTQWTLHWMRGPRY-UHFFFAOYSA-N
SMILES:
CCCc1c(Cc2ccc(cc2)c2sccc2c2n[nH]nn2)c(=O)nc2n1[nH]cn2
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.132g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.479g/mol
Monoisotopic Mass:
418.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.