Chemical ID: 5302647

Cc1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)OC
Chemical ID:
5302647
Name [?]:
2-[[4-allyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2CC=C)SCC(=O)Nc3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.379
Area:629.923
Solvation:-4.36907
Coulombic:-42.2344
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.491
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.5
LogP (Chemaxon):4.25

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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