Chemical ID: 4594120

c1ccc(cc1)COC(=O)CSc2c(c(c3c(n2)CCC3)c4ccccc4)C#N
Chemical ID:
4594120
Name [?]:
benzyl 2-[(3-cyano-2-phenyl-5-azabicyclo[4.3.0]nona-2,4,10-trien-4-yl)sulfanyl]acetate
SMILES [?]:
c1ccc(cc1)COC(=O)CSc2c(c(c3c(n2)CCC3)c4ccccc4)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.9564
Area:641.743
Solvation:-3.0872
Coulombic:-30.6004
Bond Count [?]
All:32
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.494
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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