Chemical ID: 5154858

Cc1cc(ccc1Cl)OCc2nnc(n2C)SCC(=O)Nc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
5154858
Name [?]:
2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCc2nnc(n2C)SCC(=O)Nc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18ClN5O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.45538
Area:691.436
Solvation:-9.83054
Coulombic:-51.1764
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:447.896
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.83
LogP (Chemaxon):3.73

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