BRN 0896602

ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate

CAS: 55831-73-7

Molecular Formula	`C18H23ClN2O4`
Molecular Weight	366.8 g/mol
LogP	2.9
Topological Polar Surface Area	66.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	366.13464
Heavy Atoms	25
Complexity	472.0

Chemical Identifiers

CAS Number	55831-73-7
SMILES	`CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCN(CC3)C)O)Cl)C`
InChIKey	`GJWHAXNIKLQMGG-UHFFFAOYSA-N`

📖 Product Overview

BRN 0896602 (CAS: 55831-73-7) is a chemical compound with molecular formula C18H23ClN2O4 and molecular weight 366.8 g/mol. Its IUPAC systematic name is ethyl 4-chloro-5-hydroxy-2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate. LogP 2.9 Topological Polar Surface Area 66.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 366.13464 Heavy Atoms 25 Complexity 472.0 InChI Key: GJWHAXNIKLQMGG-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN3CCN(CC3)C)O)Cl)C.

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