Chemical ID: 4456996

c1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3ccc(cc3)C#N)c4ccccc4
Chemical ID:
4456996
Name [?]:
N-(4-cyanophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)SCC(=O)Nc3ccc(cc3)C#N)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H18N4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4564
Area:685.904
Solvation:-3.69121
Coulombic:-38.5319
Bond Count [?]
All:34
Single:20
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.503
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):5.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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