Compound C44H41ClN2O7

4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid

CAS: 5978-92-7

Molecular Formula	`C44H41ClN2O7`
Molecular Weight	745.3 g/mol
LogP	7.4
Topological Polar Surface Area	120.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	14
Exact Mass	744.26025
Heavy Atoms	54
Complexity	1190.0

Chemical Identifiers

CAS Number	5978-92-7
SMILES	`C1CN(CCN1CCOCCOC(=O)C2=CC3=CC=CC=C3C(=C2O)CC4=C(C(=CC5=CC=CC=C54)C(=O)O)O)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl`
InChIKey	`YENRTVJWRCAGEM-UHFFFAOYSA-N`

📖 Product Overview

Compound C44H41ClN2O7 (CAS: 5978-92-7) is a chemical compound with molecular formula C44H41ClN2O7 and molecular weight 745.3 g/mol. Its IUPAC systematic name is 4-[[3-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxycarbonyl]-2-hydroxynaphthalen-1-yl]methyl]-3-hydroxynaphthalene-2-carboxylic acid. LogP 7.4 Topological Polar Surface Area 120.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 14 Exact Mass 744.26025 Heavy Atoms 54 Complexity 1190.0 InChI Key: YENRTVJWRCAGEM-UHFFFAOYSA-N. SMILES: C1CN(CCN1CCOCCOC(=O)C2=CC3=CC=CC=C3C(=C2O)CC4=C(C(=CC5=CC=CC=C54)C(=O)O)O)C(C6=CC=CC=C6)C7=CC=C(C=C7)Cl.

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