Chemical ID: 5365048

Cc1ccc(cc1)c2nnc(n2N)SCC(=O)Nc3ccc(cc3)C(C)C
Chemical ID:
5365048
Name [?]:
2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-isopropylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2N)SCC(=O)Nc3ccc(cc3)C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23N5OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.3044
Area:622.525
Solvation:-3.25875
Coulombic:-44.7845
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:381.496
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):4.17

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