Chemical ID: 3918502

CN(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCCOC
Chemical ID:
3918502
Name [?]:
3-chloro-8-(4-dimethylaminophenyl)-N-(2-methoxyethyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
CN(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCCOC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21ClN4O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.81797
Area:560.916
Solvation:-4.20493
Coulombic:-37.8361
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.838
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.64
LogP (Chemaxon):3.56

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