Chemical ID: 4594222

c1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
Chemical ID:
4594222
Name [?]:
2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CSc2c(cc3c(n2)CCCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4307
Area:537.73
Solvation:-3.01257
Coulombic:-29.7381
Bond Count [?]
All:25
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:323.413
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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