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137576-93-3 | 4-Thiazolecarboxylic acid, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-, ethyl ester
CAS No: 137576-93-3 Catalog No: AG0013L8 MDL No:
Product Description
Catalog Number:
AG0013L8
Chemical Name:
4-Thiazolecarboxylic acid, 2-(1,3-diphenyl-1H-pyrazol-4-yl)-, ethyl ester
CAS Number:
137576-93-3
Molecular Formula:
C21H17N3O2S
Molecular Weight:
375.4436
IUPAC Name:
ethyl 2-(1,3-diphenylpyrazol-4-yl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C21H17N3O2S/c1-2-26-21(25)18-14-27-20(22-18)17-13-24(16-11-7-4-8-12-16)23-19(17)15-9-5-3-6-10-15/h3-14H,2H2,1H3
InChI Key:
IPFMOSSSVHTBLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1cn(nc1c1ccccc1)c1ccccc1
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.446g/mol
Monoisotopic Mass:
375.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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