Chemical ID: 5843502

CCn1c(nnc1SCC(=O)Nc2c(cccc2C)C)COc3c(cccc3C)C
Chemical ID:
5843502
Name [?]:
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2c(cccc2C)C)COc3c(cccc3C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H28N4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2603
Area:655.465
Solvation:-4.12634
Coulombic:-41.0848
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:424.56
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.54
LogP (Chemaxon):3.7

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