Chemical ID: 5983738

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)COc3ccccc3
Chemical ID:
5983738
Name [?]:
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenoxyacetyl)amino-pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Br)NC(=O)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23BrN4O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:12.4715
Area:711.189
Solvation:-5.30819
Coulombic:-56.4271
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:503.413
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:5.58
LogP (Chemaxon):4.61

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