Chemical ID: 5546117

CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCC)C(C)Oc3ccccc3
Chemical ID:
5546117
Name [?]:
N-(4-ethoxyphenyl)-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCC)C(C)Oc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.6418
Area:680.43
Solvation:-5.36895
Coulombic:-48.4456
Bond Count [?]
All:32
Single:23
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.533
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.5
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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