Chemical ID: 5544571

CC(C(=O)Nc1ccc(cc1)Cl)Sc2nc(cc(n2)c3ccccc3)c4ccccc4
Chemical ID:
5544571
Name [?]:
N-(4-chlorophenyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-propanamide
SMILES [?]:
CC(C(=O)Nc1ccc(cc1)Cl)Sc2nc(cc(n2)c3ccccc3)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H20ClN3OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.9504
Area:681.417
Solvation:-3.08499
Coulombic:-36.8579
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.965
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.01
LogP (Chemaxon):7.23

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