Chemical ID: 5137001

CCOC(=O)CCc1c(nc2cc(nn2c1O)c3cccc(c3)F)C
Chemical ID:
5137001
Name [?]:
ethyl 3-[8-(3-fluorophenyl)-5-hydroxy-3-methyl-2,6,7-triazabicyclo[4.3.0]nona-2,4,7,9-tetraen-4-yl]propanoate
SMILES [?]:
CCOC(=O)CCc1c(nc2cc(nn2c1O)c3cccc(c3)F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18FN3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.0655
Area:557.512
Solvation:-4.8723
Coulombic:-47.949
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.352
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.82
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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