Chemical ID: 5285488

CCOC(=O)CSc1c(c(cc(n1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N
Chemical ID:
5285488
Name [?]:
ethyl 2-[[6-(1-adamantyl)-3-cyano-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1c(c(cc(n1)C23CC4CC(C2)CC(C4)C3)C(F)(F)F)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23F3N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.302
Area:595.458
Solvation:-3.58441
Coulombic:-44.8535
Bond Count [?]
All:32
Single:27
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:424.481
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.38
LogP (Chemaxon):5.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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