Chemical ID: 3850717

c1ccc(cc1)CCn2c(nnc2SCC(=O)c3ccccc3)c4ccccc4O
Chemical ID:
3850717
Name [?]:
2-[[5-(2-hydroxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CCn2c(nnc2SCC(=O)c3ccccc3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.2988
Area:655.368
Solvation:-4.0854
Coulombic:-40.1337
Bond Count [?]
All:33
Single:21
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:415.509
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.58
LogP (Chemaxon):5.02

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