Chemical ID: 5927735

COc1ccc(cc1OC)c2c(n3cccc(c3n2)OCc4ccccc4)NC5CCCCC5
Chemical ID:
5927735
Name [?]:
5-benzyloxy-N-cyclohexyl-8-(3,4-dimethoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccc(cc1OC)c2c(n3cccc(c3n2)OCc4ccccc4)NC5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H31N3O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:10.8882
Area:702.866
Solvation:-6.68342
Coulombic:-48.691
Bond Count [?]
All:38
Single:28
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:457.564
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.42
LogP (Chemaxon):5.54

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue