DTXSID80860664

7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 143059-69-2

Molecular Formula	`C15H14ClN3O4S`
Molecular Weight	367.8 g/mol
LogP	-1.8
Topological Polar Surface Area	138.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	367.03937
Heavy Atoms	24
Complexity	606.0

Chemical Identifiers

CAS Number	143059-69-2
SMILES	`C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl`
InChIKey	`QYIYFLOTGYLRGG-UHFFFAOYSA-N`

📖 Product Overview

DTXSID80860664 (CAS: 143059-69-2) is a chemical compound with molecular formula C15H14ClN3O4S and molecular weight 367.8 g/mol. Its IUPAC systematic name is 7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -1.8 Topological Polar Surface Area 138.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 367.03937 Heavy Atoms 24 Complexity 606.0 InChI Key: QYIYFLOTGYLRGG-UHFFFAOYSA-N. SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.

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