Chemical ID: 3843503

Cn1c(nnc1SCC(=O)OC2CCCCC2)c3ccc(cc3)O
Chemical ID:
3843503
Name [?]:
cyclohexyl 2-[[5-(4-hydroxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
Cn1c(nnc1SCC(=O)OC2CCCCC2)c3ccc(cc3)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H21N3O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.7792
Area:563.128
Solvation:-3.29903
Coulombic:-47.9181
Bond Count [?]
All:26
Single:20
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.433
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.92
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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