Chemical ID: 4873748

Cc1ccc(c(c1)NC(=O)CSc2nnc(n2C)c3ccco3)C
Chemical ID:
4873748
Name [?]:
N-(2,5-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(c(c1)NC(=O)CSc2nnc(n2C)c3ccco3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H18N4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.5431
Area:557.644
Solvation:-3.39796
Coulombic:-40.4297
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:342.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.89
LogP (Chemaxon):2.53

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