Chemical ID: 3847886

CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)C
Chemical ID:
3847886
Name [?]:
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-naphthyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H18N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4003
Area:534.043
Solvation:-2.95075
Coulombic:-32.5175
Bond Count [?]
All:25
Single:17
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:326.417
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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