Chemical ID: 4091395

Cc1cc(nc(c1C#N)SCC(=O)c2ccc3c(c2)OCO3)C
Chemical ID:
4091395
Name [?]:
2-(2-benzo[1,3]dioxol-5-yl-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyridine-3-carbonitrile
SMILES [?]:
Cc1cc(nc(c1C#N)SCC(=O)c2ccc3c(c2)OCO3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.75043
Area:531.052
Solvation:-4.52586
Coulombic:-32.1775
Bond Count [?]
All:25
Single:17
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:326.371
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.89
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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