Chemical ID: 3855744

Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)COc3cccc(c3)OC
Chemical ID:
3855744
Name [?]:
2-[[5-[(3-methoxyphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccc(cc2)OC)COc3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.08494
Area:641.039
Solvation:-6.94103
Coulombic:-41.7236
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:399.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.63
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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