Chemical ID: 5302901

CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)COc3ccc(cc3)C
Chemical ID:
5302901
Name [?]:
N-(3,4-difluorophenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)F)COc3ccc(cc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20F2N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0838
Area:641.048
Solvation:-5.94236
Coulombic:-47.1126
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.461
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.39
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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