Chemical ID: 4476191

CCn1c(nnc1SCC(=O)NCc2ccc(cc2)C)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
4476191
Name [?]:
2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolylmethyl)acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)NCc2ccc(cc2)C)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.96818
Area:659.746
Solvation:-8.52546
Coulombic:-45.6537
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.479
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.3
LogP (Chemaxon):3.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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