Chemical ID: 3843588

CCn1c(nnc1SCCN2CCCCC2)c3ccccc3OC
Chemical ID:
3843588
Name [?]:
1-[2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine
SMILES [?]:
CCn1c(nnc1SCCN2CCCCC2)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H26N4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8953
Area:571.167
Solvation:-3.38383
Coulombic:-25.9471
Bond Count [?]
All:26
Single:21
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:346.491
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.05
LogP (Chemaxon):3.08

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