Chemical ID: 6911730

CCn1c(nnc1SCC(=O)c2ccccc2)c3ccc4c(c3)OCO4
Chemical ID:
6911730
Name [?]:
2-[(5-benzo[1,3]dioxol-5-yl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenyl-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccccc2)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O3S
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2327
Area:574.612
Solvation:-4.1326
Coulombic:-37.9035
Bond Count [?]
All:29
Single:20
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.423
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.3
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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