Chemical ID: 3861487

CCc1ccc(cc1)OCc2nnc(n2CC)SCC(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
3861487
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-[[4-ethyl-5-[(4-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCc1ccc(cc1)OCc2nnc(n2CC)SCC(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N4O4S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.8591
Area:709.226
Solvation:-5.87156
Coulombic:-56.2596
Bond Count [?]
All:35
Single:26
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:454.543
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.16
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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