Chemical ID: 5567733

CC(C)(C)c1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4F
Chemical ID:
5567733
Name [?]:
4-(2-fluorophenyl)-7-(4-tert-butylphenyl)-2-thia-5,6,8,9-tetrazabicyclo[4.3.0]nona-4,7,9-triene
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2nnc3n2N=C(CS3)c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19FN4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0205
Area:544.577
Solvation:-2.59388
Coulombic:-18.2876
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.456
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.0
LogP (Chemaxon):5.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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