Chemical ID: 3858202

CCCCn1c(nnc1SCC(=O)NCC=C)c2ccncc2
Chemical ID:
3858202
Name [?]:
N-allyl-2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCCCn1c(nnc1SCC(=O)NCC=C)c2ccncc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21N5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1441
Area:573.026
Solvation:-3.18149
Coulombic:-39.0414
Bond Count [?]
All:24
Single:17
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:331.437
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.68
LogP (Chemaxon):1.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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