200,000+ products from a single source!
sales@angenechem.com
926189-73-3 | 3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]but-3-enoic acid
CAS No: 926189-73-3 Catalog No: AG019GI5 MDL No:MFCD03657732
Product Description
Catalog Number:
AG019GI5
Chemical Name:
3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]but-3-enoic acid
CAS Number:
926189-73-3
Molecular Formula:
C27H21N3O3S
Molecular Weight:
467.5389
MDL Number:
MFCD03657732
IUPAC Name:
3-(1,3-benzothiazol-2-yl)-4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]but-3-enoic acid
InChI:
InChI=1S/C27H21N3O3S/c1-33-22-13-11-18(12-14-22)26-20(17-30(29-26)21-7-3-2-4-8-21)15-19(16-25(31)32)27-28-23-9-5-6-10-24(23)34-27/h2-15,17H,16H2,1H3,(H,31,32)
InChI Key:
FAYJGQSXLTYDBI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nn(cc1C=C(c1nc2c(s1)cccc2)CC(=O)O)c1ccccc1
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.13g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.543g/mol
Monoisotopic Mass:
467.13g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.