nafcillin

(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 147-52-4

Molecular Formula	`C21H22N2O5S`
Molecular Weight	414.5 g/mol
LogP	2.9
Topological Polar Surface Area	121.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	414.12494
Heavy Atoms	29
Complexity	699.0

Chemical Identifiers

CAS Number	147-52-4
SMILES	`CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O`
InChIKey	`GPXLMGHLHQJAGZ-JTDSTZFVSA-N`

📖 Product Overview

nafcillin (CAS: 147-52-4) is a chemical compound with molecular formula C21H22N2O5S and molecular weight 414.5 g/mol. Its IUPAC systematic name is (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. LogP 2.9 Topological Polar Surface Area 121.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 414.12494 Heavy Atoms 29 Complexity 699.0 InChI Key: GPXLMGHLHQJAGZ-JTDSTZFVSA-N. SMILES: CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.

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