Chemical ID: 4625936

c1ccc(cc1)COc2ccc(cc2)C3CC(=O)NC(=C3C#N)SCc4ccccc4
Chemical ID:
4625936
Name [?]:
4-(4-benzyloxyphenyl)-2-benzylsulfanyl-6-oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C3CC(=O)NC(=C3C#N)SCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H22N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.1267
Area:678.816
Solvation:-4.84369
Coulombic:-33.818
Bond Count [?]
All:34
Single:22
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:426.531
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):5.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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