Chemical ID: 4688661

COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)CSC2
Chemical ID:
4688661
Name [?]:
dimethyl 6-(3-fluorophenyl)-3-thia-5-azabicyclo[3.3.0]octa-6,8-diene-7,8-dicarboxylate
SMILES [?]:
COC(=O)c1c2n(c(c1C(=O)OC)c3cccc(c3)F)CSC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H14FNO4S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.84448
Area:512.541
Solvation:-3.96905
Coulombic:-48.7091
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.351
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):2.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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