Chemical ID: 4870622

COc1ccc(cc1OC)C2=Nn3c(nnc3SC2)c4ccccc4Cl
Chemical ID:
4870622
Name [?]:
9-(2-chlorophenyl)-3-(3,4-dimethoxyphenyl)-5-thia-1,2,7,8-tetrazabicyclo[4.3.0]nona-2,6,8-triene
SMILES [?]:
COc1ccc(cc1OC)C2=Nn3c(nnc3SC2)c4ccccc4Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15ClN4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.43286
Area:547.588
Solvation:-5.25684
Coulombic:-26.9951
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.856
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.21
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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