Chemical ID: 4492911

c1ccc(cc1)n2c(nnc2SCC(=O)N3CCCC3)c4ccco4
Chemical ID:
4492911
Name [?]:
2-[[5-(2-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)N3CCCC3)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4734
Area:558.192
Solvation:-3.48146
Coulombic:-36.4333
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.427
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.88
LogP (Chemaxon):2.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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