Chemical ID: 3918357

COCCNc1c(nc2n1cccc2)c3ccc(c(c3)OC)OC
Chemical ID:
3918357
Name [?]:
8-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
COCCNc1c(nc2n1cccc2)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N3O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:6.85695
Area:537.352
Solvation:-6.57686
Coulombic:-45.3268
Bond Count [?]
All:26
Single:19
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.378
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.45
LogP (Chemaxon):2.27

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