oxalic acidN-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine

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

CAS: 77563-08-7

Molecular Formula	`C29H38N4O9S`
Molecular Weight	618.7 g/mol
Topological Polar Surface Area	218.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	14
Rotatable Bonds	11
Exact Mass	618.23596
Heavy Atoms	43
Complexity	593.0

Chemical Identifiers

CAS Number	77563-08-7
SMILES	`CC(C)OC1=NC2=C(S1)C=C(C=C2)NC(C)CN3CCN(CC3)CCC4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O`
InChIKey	`VWLOTHYKWJTXOV-UHFFFAOYSA-N`

📖 Product Overview

oxalic acidN-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine (CAS: 77563-08-7) is a chemical compound with molecular formula C29H38N4O9S and molecular weight 618.7 g/mol. Its IUPAC systematic name is oxalic acid;N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine. Topological Polar Surface Area 218.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 14 Rotatable Bonds 11 Exact Mass 618.23596 Heavy Atoms 43 Complexity 593.0 InChI Key: VWLOTHYKWJTXOV-UHFFFAOYSA-N. SMILES: CC(C)OC1=NC2=C(S1)C=C(C=C2)NC(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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for oxalic acidN-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]-2-propan-2-yloxy-1,3-benzothiazol-6-amine.

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