Chemical ID: 5898979

c1ccc2c(c1)CCN(C2)c3ccc(cc3C(=O)N4CCCC4)NC(=O)C5CCCCC5
Chemical ID:
5898979
Name [?]:
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyrrolidin-1-ylcarbonyl-phenyl]cyclohexanecarboxamide
SMILES [?]:
c1ccc2c(c1)CCN(C2)c3ccc(cc3C(=O)N4CCCC4)NC(=O)C5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33N3O2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.3424
Area:661.221
Solvation:-4.18809
Coulombic:-44.2092
Bond Count [?]
All:36
Single:28
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.57
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.01
LogP (Chemaxon):4.74

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