Chemical ID: 5305805

Cc1cccc(c1NC(=O)CSc2nnc(n2C)c3ccco3)C
Chemical ID:
5305805
Name [?]:
N-(2,6-dimethylphenyl)-2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cccc(c1NC(=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:10.2727
Area:553.242
Solvation:-3.5584
Coulombic:-40.208
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:3.68
LogP (Chemaxon):1.88

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