Chemical ID: 5425361

COc1ccc(cc1OC)n2c(nnc2SCC(=O)Nc3ccc4c(c3)OCCO4)c5ccccc5
Chemical ID:
5425361
Name [?]:
2-[[4-(3,4-dimethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)acetamide
SMILES [?]:
COc1ccc(cc1OC)n2c(nnc2SCC(=O)Nc3ccc4c(c3)OCCO4)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24N4O5S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.351
Area:732.884
Solvation:-7.97106
Coulombic:-62.91
Bond Count [?]
All:40
Single:28
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:504.559
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.28
LogP (Chemaxon):3.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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