Chemical ID: 6588813

CN(C)c1ccc(cc1)NC(=O)CSc2nnc(n2N)C3CC3
Chemical ID:
6588813
Name [?]:
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2nnc(n2N)C3CC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H20N6OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5508
Area:559.208
Solvation:-3.42935
Coulombic:-47.7077
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:332.425
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.29
LogP (Chemaxon):1.45

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