Chemical ID: 5874902

CCn1c(=O)c2ccccc2nc1C(C)N(CCC(C)C)C(=O)c3ccc(cc3Cl)Cl
Chemical ID:
5874902
Name [?]:
2,4-dichloro-N-[1-(3-ethyl-4-oxo-quinazolin-2-yl)ethyl]-N-isopentyl-benzamide
SMILES [?]:
CCn1c(=O)c2ccccc2nc1C(C)N(CCC(C)C)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27Cl2N3O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.6472
Area:647.596
Solvation:-2.54267
Coulombic:-43.2997
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:460.396
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.16
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