Chemical ID: 4807794

COc1ccc(cc1OC)Cc2nnc(s2)NC(=O)OC
Chemical ID:
4807794
Name [?]:
methyl [5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]aminoformate
SMILES [?]:
COc1ccc(cc1OC)Cc2nnc(s2)NC(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15N3O4S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.64484
Area:513.761
Solvation:-6.19919
Coulombic:-50.2031
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.342
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.05
LogP (Chemaxon):1.54

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