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Home > Fluorides > 1072069-73-8
1072069-73-8 | 5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro 1H-pyrazole-1-carbothioamide
CAS No: 1072069-73-8 Catalog No: AG01F3X2 MDL No:
Product Description
Catalog Number:
AG01F3X2
Chemical Name:
5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro 1H-pyrazole-1-carbothioamide
CAS Number:
1072069-73-8
Molecular Formula:
C17H16FN3OS
Molecular Weight:
329.3918
IUPAC Name:
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide
InChI:
InChI=1S/C17H16FN3OS/c1-22-14-8-4-11(5-9-14)15-10-16(21(20-15)17(19)23)12-2-6-13(18)7-3-12/h2-9,16H,10H2,1H3,(H2,19,23)
InChI Key:
SCZIFQBRIAFGPD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)C(=S)N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.393g/mol
Monoisotopic Mass:
329.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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