Chemical ID: 5300421

Cc1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)c4ccc(c(c4)O)O
Chemical ID:
5300421
Name [?]:
1-(3,4-dihydroxyphenyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2c3ccccc3)SCC(=O)c4ccc(c(c4)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1181
Area:641.535
Solvation:-4.92029
Coulombic:-54.1634
Bond Count [?]
All:33
Single:21
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.481
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.74
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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