Chemical ID: 4789387

COc1ccc(cc1)n2c(nnc2SCc3ccccc3)c4ccco4
Chemical ID:
4789387
Name [?]:
3-benzylsulfanyl-5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCc3ccccc3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7722
Area:574.38
Solvation:-3.58726
Coulombic:-29.7557
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:363.434
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.68
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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