Chemical ID: 3845439

Cc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
Chemical ID:
3845439
Name [?]:
2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.2753
Area:674.519
Solvation:-3.58764
Coulombic:-35.0972
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:428.55
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.49
LogP (Chemaxon):5.38

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