Chemical ID: 4789117

Cc1ccc(cc1)OCc2nnc(n2c3ccc(cc3)OC)SCC(=O)c4ccc(cc4)Cl
Chemical ID:
4789117
Name [?]:
1-(4-chlorophenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2c3ccc(cc3)OC)SCC(=O)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22ClN3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.8333
Area:739.82
Solvation:-5.66214
Coulombic:-36.671
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.979
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.34
LogP (Chemaxon):4.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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