Chemical ID: 5545779

Cn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3)COc4ccc(cc4)Cl
Chemical ID:
5545779
Name [?]:
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)-ethanone
SMILES [?]:
Cn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3)COc4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24ClN5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.4255
Area:703.173
Solvation:-5.15387
Coulombic:-42.8703
Bond Count [?]
All:34
Single:25
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:457.977
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):3.35

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