N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamideoxalic acid

N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid

CAS: 77563-12-3

Molecular Formula	`C30H38N4O10S`
Molecular Weight	646.7 g/mol
Topological Polar Surface Area	226.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	14
Rotatable Bonds	11
Exact Mass	646.23083
Heavy Atoms	45
Complexity	681.0

Chemical Identifiers

CAS Number	77563-12-3
SMILES	`CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O`
InChIKey	`OCKDGFTVRHCBRM-UHFFFAOYSA-N`

📖 Product Overview

N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamideoxalic acid (CAS: 77563-12-3) is a chemical compound with molecular formula C30H38N4O10S and molecular weight 646.7 g/mol. Its IUPAC systematic name is N-(2-methoxy-1,3-benzothiazol-6-yl)-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide;oxalic acid. Topological Polar Surface Area 226.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 14 Rotatable Bonds 11 Exact Mass 646.23083 Heavy Atoms 45 Complexity 681.0 InChI Key: OCKDGFTVRHCBRM-UHFFFAOYSA-N. SMILES: CCC(=O)N(C1=CC2=C(C=C1)N=C(S2)OC)C(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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