Chemical ID: 4882757

Cc1cccc(c1)c2nnc3n2N=C(CS3)c4cc(ccc4OC)OC
Chemical ID:
4882757
Name [?]:
4-(2,5-dimethoxyphenyl)-7-(m-tolyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
Cc1cccc(c1)c2nnc3n2N=C(CS3)c4cc(ccc4OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.03945
Area:537.515
Solvation:-4.39843
Coulombic:-26.2167
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.438
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.29
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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