Chemical ID: 5593446

CCOc1ccc(cc1)n2c(nnc2SCC(=O)N3CCC(CC3)C)Cc4ccccc4
Chemical ID:
5593446
Name [?]:
2-[[5-benzyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methyl-1-piperidyl)-ethanone
SMILES [?]:
CCOc1ccc(cc1)n2c(nnc2SCC(=O)N3CCC(CC3)C)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.3147
Area:701.329
Solvation:-4.2185
Coulombic:-36.5754
Bond Count [?]
All:35
Single:26
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.597
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.19
LogP (Chemaxon):3.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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