Chemical ID: 5928350

CCCC(C(=O)NC(C)C)Sc1nc(c(c(=O)n1C)Cc2ccccc2)C
Chemical ID:
5928350
Name [?]:
2-(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanyl-N-isopropyl-pentanamide
SMILES [?]:
CCCC(C(=O)NC(C)C)Sc1nc(c(c(=O)n1C)Cc2ccccc2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.0815
Area:603.607
Solvation:-3.00871
Coulombic:-45.2879
Bond Count [?]
All:28
Single:21
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:387.54
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.16
LogP (Chemaxon):4.06

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