Chemical ID: 6755260

COc1ccccc1C2C(C(=C)Nc3n2nc(n3)SCc4ccccc4F)C(=O)N
Chemical ID:
6755260
Name [?]:
8-[(2-fluorophenyl)methylsulfanyl]-5-(2-methoxyphenyl)-3-methylene-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
COc1ccccc1C2C(C(=C)Nc3n2nc(n3)SCc4ccccc4F)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20FN5O2S
All Atoms:50
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:10.1609
Area:616.077
Solvation:-5.24107
Coulombic:-62.8943
Bond Count [?]
All:33
Single:23
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:425.48
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.4
LogP (Chemaxon):3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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