BRN 6068607

ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

CAS: 85462-75-5

Molecular Formula	`C17H27NO4S`
Molecular Weight	341.5 g/mol
LogP	3.1
Topological Polar Surface Area	96.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	341.16608
Heavy Atoms	23
Complexity	380.0

Chemical Identifiers

CAS Number	85462-75-5
SMILES	`CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)C)O`
InChIKey	`YAGCAGDJBAFDJR-UHFFFAOYSA-N`

📖 Product Overview

BRN 6068607 (CAS: 85462-75-5) is a chemical compound with molecular formula C17H27NO4S and molecular weight 341.5 g/mol. Its IUPAC systematic name is ethyl 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate. LogP 3.1 Topological Polar Surface Area 96.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 341.16608 Heavy Atoms 23 Complexity 380.0 InChI Key: YAGCAGDJBAFDJR-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(CNC(C)C)O.

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