Chemical ID: 4469396

Cc1cccc(c1)OCc2nnc(n2C)SCC(=O)Nc3ccc(cc3C)[N+](=O)[O-]
Chemical ID:
4469396
Name [?]:
2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methyl-4-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cccc(c1)OCc2nnc(n2C)SCC(=O)Nc3ccc(cc3C)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:7.50596
Area:679.479
Solvation:-9.48102
Coulombic:-51.5017
Bond Count [?]
All:32
Single:22
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.478
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.64
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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