BRN 6077696

5-chloro-2-[[4-chloro-2-(2-hydroxyethylcarbamoyl)phenyl]disulfanyl]-N-(2-hydroxyethyl)benzamide

CAS: 78468-94-7

Molecular Formula	`C18H18Cl2N2O4S2`
Molecular Weight	461.4 g/mol
LogP	2.5
Topological Polar Surface Area	149.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	460.0085
Heavy Atoms	28
Complexity	474.0

Chemical Identifiers

CAS Number	78468-94-7
SMILES	`C1=CC(=C(C=C1Cl)C(=O)NCCO)SSC2=C(C=C(C=C2)Cl)C(=O)NCCO`
InChIKey	`PQVUBBUEEFPNDV-UHFFFAOYSA-N`

📖 Product Overview

BRN 6077696 (CAS: 78468-94-7) is a chemical compound with molecular formula C18H18Cl2N2O4S2 and molecular weight 461.4 g/mol. Its IUPAC systematic name is 5-chloro-2-[[4-chloro-2-(2-hydroxyethylcarbamoyl)phenyl]disulfanyl]-N-(2-hydroxyethyl)benzamide. LogP 2.5 Topological Polar Surface Area 149.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 460.0085 Heavy Atoms 28 Complexity 474.0 InChI Key: PQVUBBUEEFPNDV-UHFFFAOYSA-N. SMILES: C1=CC(=C(C=C1Cl)C(=O)NCCO)SSC2=C(C=C(C=C2)Cl)C(=O)NCCO.

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