Chemical ID: 4871241

COc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4
Chemical ID:
4871241
Name [?]:
7-(4-methoxyphenyl)-4-phenyl-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
COc1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.73401
Area:505.526
Solvation:-2.90415
Coulombic:-21.1619
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.385
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.94
LogP (Chemaxon):3.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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