Chemical ID: 4889899

COc1ccc(cc1OC)C2=Nn3c(nnc3SC2)c4ccccc4
Chemical ID:
4889899
Name [?]:
3-(3,4-dimethoxyphenyl)-9-phenyl-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-triene
SMILES [?]:
COc1ccc(cc1OC)C2=Nn3c(nnc3SC2)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.03526
Area:525.671
Solvation:-5.10651
Coulombic:-27.187
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.411
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.58
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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