Chemical ID: 4790638

CCn1c(nnc1SCC(=O)Nc2cccc(c2)F)COc3ccc(cc3)C
Chemical ID:
4790638
Name [?]:
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)F)COc3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21FN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7196
Area:633.126
Solvation:-5.10856
Coulombic:-44.0325
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.471
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.23
LogP (Chemaxon):3.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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