Chemical ID: 5889025

CC(C)NC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)C4CCCC4
Chemical ID:
5889025
Name [?]:
5-cyclopentylcarbonylamino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-isopropyl-benzamide
SMILES [?]:
CC(C)NC(=O)c1cc(ccc1N2CCc3ccccc3C2)NC(=O)C4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H31N3O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.0556
Area:644.052
Solvation:-4.04569
Coulombic:-48.4476
Bond Count [?]
All:33
Single:25
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.533
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.67
LogP (Chemaxon):4.53

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