Chemical ID: 5930301

CCC(=O)Oc1ccccc1c2c(n3ccccc3n2)NC(C)(C)CC(C)(C)C
Chemical ID:
5930301
Name [?]:
[2-[9-(1,1,3,3-tetramethylbutylamino)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-8-yl]phenyl] propanoate
SMILES [?]:
CCC(=O)Oc1ccccc1c2c(n3ccccc3n2)NC(C)(C)CC(C)(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H31N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.8809
Area:572.35
Solvation:-2.42786
Coulombic:-44.0655
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.522
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.46
LogP (Chemaxon):5.53

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