Chemical ID: 6443372

CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])c3ccncc3
Chemical ID:
6443372
Name [?]:
2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N6O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.92339
Area:620.367
Solvation:-8.58578
Coulombic:-47.898
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.44
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.7
LogP (Chemaxon):2.1

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