Chemical ID: 3937957

CCCCn1c(nnc1SCC(=O)c2cccc(c2)OC)c3ccco3
Chemical ID:
3937957
Name [?]:
2-[[4-butyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-methoxyphenyl)-ethanone
SMILES [?]:
CCCCn1c(nnc1SCC(=O)c2cccc(c2)OC)c3ccco3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21N3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5482
Area:609.472
Solvation:-4.68859
Coulombic:-36.1465
Bond Count [?]
All:28
Single:20
Double:8
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:371.454
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.08
LogP (Chemaxon):3.18

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