Chemical ID: 5456391

CCOc1ccc(cc1)n2c(nnc2SCC(=O)NC(C)C)c3cccc(c3)OC
Chemical ID:
5456391
Name [?]:
2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide
SMILES [?]:
CCOc1ccc(cc1)n2c(nnc2SCC(=O)NC(C)C)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.7294
Area:675.693
Solvation:-5.16298
Coulombic:-47.9773
Bond Count [?]
All:32
Single:23
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.533
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.67
LogP (Chemaxon):3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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