Chemical ID: 3854371

c1ccc(cc1)Cn2c(nnc2SCC(=O)Nc3ccccc3)COc4ccccc4
Chemical ID:
3854371
Name [?]:
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)Cn2c(nnc2SCC(=O)Nc3ccccc3)COc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H22N4O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8245
Area:661.025
Solvation:-4.70112
Coulombic:-42.8567
Bond Count [?]
All:34
Single:22
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:430.523
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.92
LogP (Chemaxon):4.57

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