Chemical ID: 5457056

COc1ccccc1OCc2nnc(n2c3ccccc3)SCC(=O)c4ccccc4
Chemical ID:
5457056
Name [?]:
2-[[5-[(2-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
COc1ccccc1OCc2nnc(n2c3ccccc3)SCC(=O)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21N3O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.4926
Area:678.542
Solvation:-6.47093
Coulombic:-37.0067
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:431.508
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.01
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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