Chemical ID: 3968740

CN1C(=C(c2c(ccs2)S1(=O)=O)O)C(=O)Nc3ccccn3
Chemical ID:
3968740
Name [?]:
2-hydroxy-4-methyl-5,5-dioxo-N-(2-pyridyl)-5$l^{6},9-dithia-4-azabicyclo[4.3.0]nona-2,7,10-triene-3-carboxamide
SMILES [?]:
CN1C(=C(c2c(ccs2)S1(=O)=O)O)C(=O)Nc3ccccn3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11N3O4S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:8.21035
Area:481.664
Solvation:-3.83125
Coulombic:-48.9607
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.376
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.59
LogP (Chemaxon):-2.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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