Chemical ID: 4502300

Cn1c(nnc1SCC(=O)c2ccccc2)Cc3ccc(cc3)OC
Chemical ID:
4502300
Name [?]:
2-[[5-[(4-methoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone
SMILES [?]:
Cn1c(nnc1SCC(=O)c2ccccc2)Cc3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H19N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0349
Area:577.65
Solvation:-4.4064
Coulombic:-28.1884
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.439
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.84
LogP (Chemaxon):2.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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