Chemical ID: 5929713

Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)C5CCC5
Chemical ID:
5929713
Name [?]:
[2-(9-benzylamino-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl)phenyl] cyclobutanecarboxylate
SMILES [?]:
Cc1ccn2c(c1)nc(c2NCc3ccccc3)c4ccccc4OC(=O)C5CCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H25N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.1835
Area:643.65
Solvation:-2.90775
Coulombic:-44.834
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.496
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.71
LogP (Chemaxon):5.77

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