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89144-84-3 | 1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-phenyl-3-(thienyl)-
CAS No: 89144-84-3 Catalog No: AG003XIC MDL No:
Product Description
Catalog Number:
AG003XIC
Chemical Name:
1H-Pyrazole, 4,5-dihydro-5-(4-methoxyphenyl)-1-phenyl-3-(thienyl)-
CAS Number:
89144-84-3
Molecular Formula:
C20H18N2OS
Molecular Weight:
334.4347
IUPAC Name:
3-(4-methoxyphenyl)-2-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole
InChI:
InChI=1S/C20H18N2OS/c1-23-17-11-9-15(10-12-17)19-14-18(20-8-5-13-24-20)21-22(19)16-6-3-2-4-7-16/h2-13,19H,14H2,1H3
InChI Key:
FETQRPMUEGBANJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1cccs1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.114g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.437g/mol
Monoisotopic Mass:
334.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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