Chemical ID: 4461761

CCOc1ccc(cc1)NC(=O)CSc2nnc(n2CC(C)C)c3ccncc3
Chemical ID:
4461761
Name [?]:
N-(4-ethoxyphenyl)-2-[[4-isobutyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnc(n2CC(C)C)c3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H25N5O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5976
Area:648.879
Solvation:-4.62434
Coulombic:-44.4048
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.522
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.69
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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