Chemical ID: 3853917

COCCn1c(nnc1SCC(=O)N2CCCCC2)c3ccc(cc3)OC
Chemical ID:
3853917
Name [?]:
2-[[4-(2-methoxyethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone
SMILES [?]:
COCCn1c(nnc1SCC(=O)N2CCCCC2)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H26N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.3104
Area:620.827
Solvation:-5.21023
Coulombic:-43.7746
Bond Count [?]
All:29
Single:23
Double:6
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:390.501
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.7
LogP (Chemaxon):1.69

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