Chemical ID: 4652655

CCOc1cccc(c1)NC(=O)CSc2c(cc3c(n2)CC(CC3=O)(C)C)C#N
Chemical ID:
4652655
Name [?]:
2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(3-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1cccc(c1)NC(=O)CSc2c(cc3c(n2)CC(CC3=O)(C)C)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0655
Area:651.083
Solvation:-5.21158
Coulombic:-43.197
Bond Count [?]
All:31
Single:22
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:409.502
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.21
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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