Chemical ID: 3845433

c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4cccc(c4)Cl
Chemical ID:
3845433
Name [?]:
N-(3-chlorophenyl)-2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4cccc(c4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21ClN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.6231
Area:685.213
Solvation:-3.50727
Coulombic:-35.4555
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:448.969
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.67
LogP (Chemaxon):5.43

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