Chemical ID: 3850715

COc1ccc(cc1)C(=O)CSc2nnc(n2CCc3ccccc3)c4ccccc4O
Chemical ID:
3850715
Name [?]:
2-[[5-(2-hydroxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(cc1)C(=O)CSc2nnc(n2CCc3ccccc3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23N3O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.0673
Area:693.661
Solvation:-5.27419
Coulombic:-46.4114
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:445.535
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.49
LogP (Chemaxon):4.77

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