Chemical ID: 5926189

Cc1cccc(c1)n2c(nnc2SCCCC(=O)N3CCCCC3)c4ccco4
Chemical ID:
5926189
Name [?]:
4-[[5-(2-furyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)butan-1-one
SMILES [?]:
Cc1cccc(c1)n2c(nnc2SCCCC(=O)N3CCCCC3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.8096
Area:654.229
Solvation:-3.54617
Coulombic:-36.664
Bond Count [?]
All:32
Single:24
Double:8
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.534
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.39
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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