Chemical ID: 6004120

Cc1cccc(c1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)C(C)Cl
Chemical ID:
6004120
Name [?]:
2-(2-chloropropanoylamino)-3-methyl-N-[5-(m-tolyl)-1,3,4-thiadiazol-2-yl]-butanamide
SMILES [?]:
Cc1cccc(c1)c2nnc(s2)NC(=O)C(C(C)C)NC(=O)C(C)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21ClN4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.5086
Area:601.022
Solvation:-3.51697
Coulombic:-48.3863
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:380.893
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):3.52

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