Chemical ID: 3918356

COc1ccc(cc1OC)c2c(n3ccccc3n2)NCc4ccc(cc4)F
Chemical ID:
3918356
Name [?]:
8-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccc(cc1OC)c2c(n3ccccc3n2)NCc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20FN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.43098
Area:585.68
Solvation:-6.21103
Coulombic:-42.6817
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.412
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.51
LogP (Chemaxon):4.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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