200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 858117-53-0
858117-53-0 | Phenol, 3-methoxy-5-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-
CAS No: 858117-53-0 Catalog No: AG004RC8 MDL No:
Product Description
Catalog Number:
AG004RC8
Chemical Name:
Phenol, 3-methoxy-5-[[5-(3-thienyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-
CAS Number:
858117-53-0
Molecular Formula:
C19H16N2O2S
Molecular Weight:
336.4075
IUPAC Name:
3-methoxy-5-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
InChI:
InChI=1S/C19H16N2O2S/c1-23-17-6-12(5-16(22)8-17)4-15-10-21-19-18(15)7-14(9-20-19)13-2-3-24-11-13/h2-3,5-11,22H,4H2,1H3,(H,20,21)
InChI Key:
YJGAYTGVVYFPIN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)O)Cc1c[nH]c2c1cc(cn2)c1ccsc1
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.093g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.409g/mol
Monoisotopic Mass:
336.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.