Chemical ID: 4408741

c1ccc(c(c1)C(F)(F)F)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
Chemical ID:
4408741
Name [?]:
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16F3N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.1217
Area:575.709
Solvation:-3.271
Coulombic:-48.4504
Bond Count [?]
All:29
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:391.411
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):4.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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