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505056-71-3 | N-Phenethyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CAS No: 505056-71-3 Catalog No: AG01F3PJ MDL No:
Product Description
Catalog Number:
AG01F3PJ
Chemical Name:
N-Phenethyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CAS Number:
505056-71-3
Molecular Formula:
C19H16F3N3OS2
Molecular Weight:
423.4750
IUPAC Name:
N-(2-phenylethyl)-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
InChI:
InChI=1S/C19H16F3N3OS2/c20-19(21,22)16-11-14(15-7-4-10-27-15)24-18(25-16)28-12-17(26)23-9-8-13-5-2-1-3-6-13/h1-7,10-11H,8-9,12H2,(H,23,26)
InChI Key:
NXHRPSKYVMWAAJ-UHFFFAOYSA-N
SMILES:
O=C(CSc1nc(cc(n1)C(F)(F)F)c1cccs1)NCCc1ccccc1
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.069g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
423.472g/mol
Monoisotopic Mass:
423.069g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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