Chemical ID: 3858209

CCCCn1c(nnc1SCC(=O)c2ccc(cc2)OC)c3ccncc3
Chemical ID:
3858209
Name [?]:
2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)-ethanone
SMILES [?]:
CCCCn1c(nnc1SCC(=O)c2ccc(cc2)OC)c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H22N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9654
Area:623.04
Solvation:-4.61064
Coulombic:-32.5876
Bond Count [?]
All:29
Single:20
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:382.48
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.13
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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