Chemical ID: 5925130

CCn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3F)c4ccco4
Chemical ID:
5925130
Name [?]:
2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]-ethanone
SMILES [?]:
CCn1c(nnc1SCC(=O)N2CCN(CC2)c3ccccc3F)c4ccco4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22FN5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.606
Area:630.254
Solvation:-5.15032
Coulombic:-46.7507
Bond Count [?]
All:32
Single:24
Double:8
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:415.486
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.2
LogP (Chemaxon):2.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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