Chemical ID: 3854456

Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccc(cc4)F
Chemical ID:
3854456
Name [?]:
2-[[4-benzyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-fluorophenyl)-acetamide
SMILES [?]:
Cc1ccccc1OCc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23FN4O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.5489
Area:678.343
Solvation:-5.40964
Coulombic:-45.6734
Bond Count [?]
All:36
Single:24
Double:12
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:462.54
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.31
LogP (Chemaxon):5.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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