Chemical ID: 5114117

c1ccc(c(c1)NC(=O)CSc2c(cc3c(n2)CCC3)C#N)F
Chemical ID:
5114117
Name [?]:
2-[(3-cyano-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]-N-(2-fluorophenyl)-acetamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CSc2c(cc3c(n2)CCC3)C#N)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14FN3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.80477
Area:527.549
Solvation:-3.38395
Coulombic:-33.6729
Bond Count [?]
All:25
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:327.377
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.31
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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