Chemical ID: 5930240

COc1cc(ccc1OC(=O)c2ccccc2F)c3c(n4ccccc4n3)NC5CCCCC5
Chemical ID:
5930240
Name [?]:
[4-(9-cyclohexylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)-2-methoxy-phenyl] 2-fluorobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2F)c3c(n4ccccc4n3)NC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H26FN3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.0966
Area:669.638
Solvation:-4.64439
Coulombic:-56.5007
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:459.512
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.22
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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