Chemical ID: 4596041

c1ccc(cc1)C(=O)CSc2c(ccc(n2)C34CC5CC(C3)CC(C5)C4)C#N
Chemical ID:
4596041
Name [?]:
6-(1-adamantyl)-2-phenacylsulfanyl-pyridine-3-carbonitrile
SMILES [?]:
c1ccc(cc1)C(=O)CSc2c(ccc(n2)C34CC5CC(C3)CC(C5)C4)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24N2OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8597
Area:588.57
Solvation:-2.85458
Coulombic:-19.5966
Bond Count [?]
All:32
Single:24
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.526
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.66
LogP (Chemaxon):5.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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