Compound C22H23N4O5S+

3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 5182-52-5

Molecular Formula	`C22H23N4O5S+`
Molecular Weight	455.5 g/mol
LogP	0.6
Topological Polar Surface Area	148.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	455.13892
Heavy Atoms	32
Complexity	823.0

Chemical Identifiers

CAS Number	5182-52-5
SMILES	`CNC(=O)C1=CC=[N+](C=C1)CC2=C(N3C(CC2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)O`
InChIKey	`UTRRWSFGTOWCMD-UHFFFAOYSA-O`

📖 Product Overview

Compound C22H23N4O5S+ (CAS: 5182-52-5) is a chemical compound with molecular formula C22H23N4O5S+ and molecular weight 455.5 g/mol. Its IUPAC systematic name is 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP 0.6 Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 455.13892 Heavy Atoms 32 Complexity 823.0 InChI Key: UTRRWSFGTOWCMD-UHFFFAOYSA-O. SMILES: CNC(=O)C1=CC=[N+](C=C1)CC2=C(N3C(CC2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)O.

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