Chemical ID: 5566962

COc1ccccc1n2cnnc2SCC(=O)NCC=C
Chemical ID:
5566962
Name [?]:
N-allyl-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
COc1ccccc1n2cnnc2SCC(=O)NCC=C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C14H16N4O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.62024
Area:513.767
Solvation:-4.22393
Coulombic:-40.1798
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:304.369
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):0.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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