Chemical ID: 4494209

CCn1c(nnc1SCC(=O)NC(C)(C)C)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
4494209
Name [?]:
2-[[4-ethyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)NC(C)(C)C)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21N5O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.53522
Area:584.731
Solvation:-8.08305
Coulombic:-44.2821
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.436
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.46
LogP (Chemaxon):2.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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