Chemical ID: 5415620

CCn1c(nnc1SCC(=O)Nc2nc(cs2)C)CC(=O)Nc3ccc(cc3)F
Chemical ID:
5415620
Name [?]:
2-[[4-ethyl-5-[(4-fluorophenyl)carbamoylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2nc(cs2)C)CC(=O)Nc3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H19FN6O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3426
Area:651.641
Solvation:-5.94845
Coulombic:-57.9412
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:434.513
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.08
LogP (Chemaxon):2.6

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