Compound C26H37ClN4O6S2

2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

CAS: 575-52-0

Molecular Formula	`C26H37ClN4O6S2`
Molecular Weight	601.2 g/mol
Topological Polar Surface Area	193.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	13
Exact Mass	600.1843
Heavy Atoms	39
Complexity	754.0

Chemical Identifiers

CAS Number	575-52-0
SMILES	`CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C`
InChIKey	`QTSRNJOUSLIETA-UHFFFAOYSA-N`

📖 Product Overview

Compound C26H37ClN4O6S2 (CAS: 575-52-0) is a chemical compound with molecular formula C26H37ClN4O6S2 and molecular weight 601.2 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-prop-2-enylsulfanylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. Topological Polar Surface Area 193.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 13 Exact Mass 600.1843 Heavy Atoms 39 Complexity 754.0 InChI Key: QTSRNJOUSLIETA-UHFFFAOYSA-N. SMILES: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CSCC=C)C(=O)O)C.

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