Chemical ID: 3847336

Cc1ccc(cc1)OCc2nnc(n2Cc3ccccc3)SCC#N
Chemical ID:
3847336
Name [?]:
2-[[4-benzyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
SMILES [?]:
Cc1ccc(cc1)OCc2nnc(n2Cc3ccccc3)SCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.3617
Area:566.5
Solvation:-3.80076
Coulombic:-24.3492
Bond Count [?]
All:27
Single:18
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.439
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.11
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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