Chemical ID: 4467346

CC(c1nnc(n1C)SCC(=O)Nc2cc(c(cc2Cl)Cl)Cl)Oc3ccccc3
Chemical ID:
4467346
Name [?]:
2-[[4-methyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,5-trichlorophenyl)-acetamide
SMILES [?]:
CC(c1nnc(n1C)SCC(=O)Nc2cc(c(cc2Cl)Cl)Cl)Oc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17Cl3N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.258
Area:696.315
Solvation:-4.14985
Coulombic:-41.9516
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:471.788
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.6
LogP (Chemaxon):4.23

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