Chemical ID: 4494392

Cn1c(nnc1SCC(=O)N(C)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4494392
Name [?]:
N-methyl-2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)N(C)c2ccccc2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N5O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.29378
Area:603.02
Solvation:-8.78172
Coulombic:-39.966
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.425
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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