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245039-40-1 | 2'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5,5'-dimethyl-2-phenyl-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS No: 245039-40-1 Catalog No: AG00IONN MDL No:MFCD00141218
Product Description
Catalog Number:
AG00IONN
Chemical Name:
2'-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5,5'-dimethyl-2-phenyl-2H,2'H-[3,4'-bipyrazole]-3'-ol
CAS Number:
245039-40-1
Molecular Formula:
C24H21N5O2S
Molecular Weight:
443.5208
MDL Number:
MFCD00141218
IUPAC Name:
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-4-(5-methyl-2-phenylpyrazol-3-yl)-1H-pyrazol-3-one
InChI:
InChI=1S/C24H21N5O2S/c1-15-13-21(28(26-15)18-7-5-4-6-8-18)22-16(2)27-29(23(22)30)24-25-20(14-32-24)17-9-11-19(31-3)12-10-17/h4-14,27H,1-3H3
InChI Key:
HFCZLCMHLZKNNE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1csc(n1)n1nc(c(c1O)c1cc(nn1c1ccccc1)C)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
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