Chemical ID: 6742528

c1cc(sc1)c2cc(nc(n2)SCC(=O)NCc3cc[nH+]cc3)C(F)(F)F
Chemical ID:
6742528
Name [?]:
N-(1H-pyridin-4-ylmethyl)-2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide
SMILES [?]:
c1cc(sc1)c2cc(nc(n2)SCC(=O)NCc3cc[nH+]cc3)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14F3N4OS2+
All Atoms:41
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-22.1381
Area:614.175
Solvation:-37.4925
Coulombic:-41.7266
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.447
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.99
LogP (Chemaxon):3.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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