Chemical ID: 4845808

COc1ccc(cc1OC)c2nn3c(nnc3s2)c4ccco4
Chemical ID:
4845808
Name [?]:
7-(3,4-dimethoxyphenyl)-2-(2-furyl)-6-thia-1,3,4,8-tetrazabicyclo[3.3.0]octa-2,4,7-triene
SMILES [?]:
COc1ccc(cc1OC)c2nn3c(nnc3s2)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H12N4O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.28205
Area:518.601
Solvation:-5.68297
Coulombic:-33.5793
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.347
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):2.27

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