200,000+ products from a single source!
sales@angenechem.com
245039-27-4 | 2-(4-methoxyphenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS No: 245039-27-4 Catalog No: AG00IMXS MDL No:MFCD00141211
Product Description
Catalog Number:
AG00IMXS
Chemical Name:
2-(4-methoxyphenyl)-5,5'-dimethyl-2'-(4-phenyl-1,3-thiazol-2-yl)-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS Number:
245039-27-4
Molecular Formula:
C24H21N5O2S
Molecular Weight:
443.5208
MDL Number:
MFCD00141211
IUPAC Name:
4-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
InChI:
InChI=1S/C24H21N5O2S/c1-15-13-21(28(26-15)18-9-11-19(31-3)12-10-18)22-16(2)27-29(23(22)30)24-25-20(14-32-24)17-7-5-4-6-8-17/h4-14,27H,1-3H3
InChI Key:
IBEWFHYNXXUZFD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nc(cc1c1c(C)nn(c1O)c1scc(n1)c1ccccc1)C
Properties
Complexity:
719
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.142g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.525g/mol
Monoisotopic Mass:
443.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.