Chemical ID: 3928775

CC(C)CN(c1nnc(s1)c2cc(c(c(c2)OC)OC)OC)C(=O)c3ccccc3Cl
Chemical ID:
3928775
Name [?]:
2-chloro-N-isobutyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-benzamide
SMILES [?]:
CC(C)CN(c1nnc(s1)c2cc(c(c(c2)OC)OC)OC)C(=O)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24ClN3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.2122
Area:669.733
Solvation:-6.53111
Coulombic:-45.6391
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:461.962
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.36
LogP (Chemaxon):4.06

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