Chemical ID: 4789455

COc1ccc(cc1)n2c(nnc2SCc3ccc(c(c3)Cl)Cl)c4cccc(c4)OC
Chemical ID:
4789455
Name [?]:
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazole
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCc3ccc(c(c3)Cl)Cl)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19Cl2N3O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.9319
Area:691.432
Solvation:-4.35386
Coulombic:-30.146
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:472.387
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:8.14
LogP (Chemaxon):6.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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