Chemical ID: 5571983

Cn1c(nnc1SCC(=O)Nc2cc3c(cc2OC)c4ccccc4o3)COc5ccc(cc5)Cl
Chemical ID:
5571983
Name [?]:
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxydibenzofuran-3-yl)-acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2cc3c(cc2OC)c4ccccc4o3)COc5ccc(cc5)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21ClN4O4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.5458
Area:758.391
Solvation:-6.41401
Coulombic:-55.4777
Bond Count [?]
All:39
Single:27
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:508.978
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.15
LogP (Chemaxon):5.03

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