Chemical ID: 4880529

COc1ccc(c(c1)C2=Nn3c(nnc3SC2)c4ccc(cc4)F)OC
Chemical ID:
4880529
Name [?]:
3-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-triene
SMILES [?]:
COc1ccc(c(c1)C2=Nn3c(nnc3SC2)c4ccc(cc4)F)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15FN4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.02135
Area:520.032
Solvation:-4.97945
Coulombic:-29.5504
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.01
LogP (Chemaxon):2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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