Chemical ID: 5837460

CCCCN1C(C(=C(C1=O)C)C)Sc2ccc(cc2)OC
Chemical ID:
5837460
Name [?]:
1-butyl-5-(4-methoxyphenyl)sulfanyl-3,4-dimethyl-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)C)C)Sc2ccc(cc2)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H23NO2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.65856
Area:514.844
Solvation:-3.21253
Coulombic:-26.6897
Bond Count [?]
All:22
Single:17
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:305.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):3.77

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