Chemical ID: 5298141

CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)c4cccc(c4)C
Chemical ID:
5298141
Name [?]:
2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)c4cccc(c4)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22N4OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.8701
Area:632.893
Solvation:-2.95217
Coulombic:-35.562
Bond Count [?]
All:32
Single:21
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:402.513
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.66
LogP (Chemaxon):5.11

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