Chemical ID: 5428225

CCn1c(nnc1SCC(=O)Nc2ccccc2F)CC(=O)Nc3ccc(c(c3)C)C
Chemical ID:
5428225
Name [?]:
2-[[5-[(3,4-dimethylphenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-fluorophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2F)CC(=O)Nc3ccc(c(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24FN5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.8003
Area:677.804
Solvation:-5.14484
Coulombic:-55.1284
Bond Count [?]
All:33
Single:23
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:441.523
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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