Chemical ID: 4884006

Cc1ccc(cc1)NC(=O)CSc2nnc(n2N)C3CCCCC3
Chemical ID:
4884006
Name [?]:
2-[(4-amino-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2N)C3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H23N5OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.3179
Area:569.215
Solvation:-2.91246
Coulombic:-43.2362
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.464
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.22
LogP (Chemaxon):2.84

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