Chemical ID: 4454281

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCC)Cc3ccccc3
Chemical ID:
4454281
Name [?]:
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCC)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8408
Area:647.279
Solvation:-4.34112
Coulombic:-40.1559
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.507
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.1
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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