Chemical ID: 3874690

COc1ccccc1n2c(nnc2SCC(=O)OC)c3ccco3
Chemical ID:
3874690
Name [?]:
methyl 2-[[5-(2-furyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
SMILES [?]:
COc1ccccc1n2c(nnc2SCC(=O)OC)c3ccco3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H15N3O4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.53276
Area:539.651
Solvation:-4.95853
Coulombic:-45.3504
Bond Count [?]
All:26
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:345.374
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.68
LogP (Chemaxon):1.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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