Chemical ID: 5928351

CCCCNC(=O)C(CCC)Sc1nc(c(c(=O)n1C)Cc2ccccc2)C
Chemical ID:
5928351
Name [?]:
2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-butyl-pentanamide
SMILES [?]:
CCCCNC(=O)C(CCC)Sc1nc(c(c(=O)n1C)Cc2ccccc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H31N3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.0844
Area:648.366
Solvation:-3.12472
Coulombic:-45.7995
Bond Count [?]
All:29
Single:22
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:401.567
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.62
LogP (Chemaxon):4.51

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