Chemical ID: 5984237

CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Br)NC(=O)CC
Chemical ID:
5984237
Name [?]:
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-propanoylamino-pentanamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2cccc(c2)Br)NC(=O)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21BrN4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.6959
Area:598.248
Solvation:-3.26026
Coulombic:-47.4524
Bond Count [?]
All:26
Single:19
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:425.344
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.44
LogP (Chemaxon):3.74

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