Chemical ID: 4237949

COc1cc(cc(c1OC)OC)c2n[nH]c(=S)n2CC=C
Chemical ID:
4237949
Name [?]:
4-allyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,4-triazole-3-thione
SMILES [?]:
COc1cc(cc(c1OC)OC)c2n[nH]c(=S)n2CC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H17N3O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.34947
Area:487.314
Solvation:-5.83339
Coulombic:-41.0474
Bond Count [?]
All:22
Single:16
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:307.369
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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