Chemical ID: 5545007

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)O)c3cccc(c3)C
Chemical ID:
5545007
Name [?]:
4-[2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoic acid
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C(=O)O)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0824
Area:631.159
Solvation:-3.69661
Coulombic:-61.1218
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.464
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.01
LogP (Chemaxon):3.62

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