Chemical ID: 5876537

CCCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)C4CCCC4
Chemical ID:
5876537
Name [?]:
N-[1-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]propyl]-N-pentyl-cyclopentanecarboxamide
SMILES [?]:
CCCCCN(C(CC)c1nc2ccccc2c(=O)n1c3cccc(c3)Cl)C(=O)C4CCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H34ClN3O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:14.2198
Area:687.122
Solvation:-2.95821
Coulombic:-42.113
Bond Count [?]
All:37
Single:28
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:480.041
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.72
LogP (Chemaxon):6.36

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