Chemical ID: 4111606

COc1cc(ccc1c2cn3ccsc3n2)SC
Chemical ID:
4111606
Name [?]:
7-(2-methoxy-4-methylsulfanyl-phenyl)-4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-triene
SMILES [?]:
COc1cc(ccc1c2cn3ccsc3n2)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H12N2OS2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.65967
Area:450.603
Solvation:-3.60541
Coulombic:-19.1996
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:276.379
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.91
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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