Chemical ID: 5929682

Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4cccc(c4)OC(=O)c5ccccc5F
Chemical ID:
5929682
Name [?]:
[3-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 2-fluorobenzoate
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4cccc(c4)OC(=O)c5ccccc5F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H22FN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.0467
Area:690.87
Solvation:-4.22505
Coulombic:-49.4915
Bond Count [?]
All:38
Single:24
Double:14
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:451.492
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.81
LogP (Chemaxon):6.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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