Chemical ID: 5930075

CC(C)(C)CC(=O)Oc1ccc(cc1)c2c(n3ccccc3n2)NCc4ccccc4
Chemical ID:
5930075
Name [?]:
[4-(9-benzylamino-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] 3,3-dimethylbutanoate
SMILES [?]:
CC(C)(C)CC(=O)Oc1ccc(cc1)c2c(n3ccccc3n2)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H27N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.5588
Area:661.981
Solvation:-2.99073
Coulombic:-44.9292
Bond Count [?]
All:34
Single:23
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:413.512
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.51
LogP (Chemaxon):6.0

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