Chemical ID: 3860770

Cn1c(nnc1SCC(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)OC
Chemical ID:
3860770
Name [?]:
1-(3,4-dimethoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccc(c(c2)OC)OC)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.09957
Area:626.072
Solvation:-7.55223
Coulombic:-41.172
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:399.465
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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