Chemical ID: 5545291

Cc1cccc(c1OCc2nnc(n2C)SCC(=O)Nc3ccccc3F)C
Chemical ID:
5545291
Name [?]:
2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)-acetamide
SMILES [?]:
Cc1cccc(c1OCc2nnc(n2C)SCC(=O)Nc3ccccc3F)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21FN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.7996
Area:614.844
Solvation:-4.57151
Coulombic:-45.4187
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.471
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.83
LogP (Chemaxon):3.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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