Chemical ID: 4806999

CC(C)c1nnc(s1)NC(=O)CCC(=O)Nc2cccc(c2)C(F)(F)F
Chemical ID:
4806999
Name [?]:
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-[3-(trifluoromethyl)phenyl]-butanediamide
SMILES [?]:
CC(C)c1nnc(s1)NC(=O)CCC(=O)Nc2cccc(c2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H17F3N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2899
Area:590.037
Solvation:-4.461
Coulombic:-61.6624
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.393
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.98
LogP (Chemaxon):2.98

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