Chemical ID: 3893136

Cc1cccc(c1C)n2c(nnc2SCC(=O)OC)c3cccnc3
Chemical ID:
3893136
Name [?]:
methyl 2-[[4-(2,3-dimethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
Cc1cccc(c1C)n2c(nnc2SCC(=O)OC)c3cccnc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.7699
Area:553.682
Solvation:-3.07221
Coulombic:-35.6871
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.427
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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