Chemical ID: 5411508

CCNC(=O)CSc1nnc(n1CC(C)C)c2ccc(cc2)OC
Chemical ID:
5411508
Name [?]:
N-ethyl-2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCNC(=O)CSc1nnc(n1CC(C)C)c2ccc(cc2)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H24N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.572
Area:577.212
Solvation:-3.85828
Coulombic:-41.0685
Bond Count [?]
All:25
Single:19
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.464
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):2.44

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