Chemical ID: 6466117

c1ccc(cc1)C2CCc3c(cc(c(n3)SCC(=O)Nc4ccccc4)C#N)C2
Chemical ID:
6466117
Name [?]:
2-[(3-cyano-6-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)C2CCc3c(cc(c(n3)SCC(=O)Nc4ccccc4)C#N)C2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N3OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:12.6192
Area:641.238
Solvation:-3.4117
Coulombic:-31.3752
Bond Count [?]
All:32
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:399.509
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.09
LogP (Chemaxon):5.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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