Chemical ID: 4696406

CCOC(=O)Cn1c(=O)n(c(n1)C)c2ccccc2
Chemical ID:
4696406
Name [?]:
ethyl 2-(3-methyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)acetate
SMILES [?]:
CCOC(=O)Cn1c(=O)n(c(n1)C)c2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N3O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.55453
Area:460.249
Solvation:-2.95169
Coulombic:-43.378
Bond Count [?]
All:20
Single:14
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.277
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.8
LogP (Chemaxon):1.39

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