Chemical ID: 3639796

COc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccc(cc4)F
Chemical ID:
3639796
Name [?]:
N-(4-fluorophenyl)-2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21FN4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.0562
Area:706.584
Solvation:-6.60842
Coulombic:-51.1682
Bond Count [?]
All:36
Single:24
Double:12
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.513
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.85
LogP (Chemaxon):4.09

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