Methyl 4-[4-[4-(1,1,3-Trioxo-1,2-Benzothiazol-2-Yl)Butyl]Piperazin-1-Yl]-1H-Indole-2-Carboxylate
[CAS# 141533-35-9]

Identification

• Name: Methyl 4-[4-[4-(1,1,3-Trioxo-1,2-Benzothiazol-2-Yl)Butyl]Piperazin-1-Yl]-1H-Indole-2-Carboxylate
• Synonyms: 4-[4-[4-(1,1,3-Trioxo-1,2-Benzothiazol-2-Yl)Butyl]-1-Piperazinyl]-1H-Indole-2-Carboxylic Acid Methyl Ester; 4-[4-[4-(1,1,3-Triketo-1,2-Benzothiazol-2-Yl)Butyl]Piperazin-1-Yl]-1H-Indole-2-Carboxylic Acid Methyl Ester; Pdsp1_000565
• Molecular Formula: C₂₅H₂₈N₄O₅S
• Molecular Weight: 496.58
• CAS Registry Number: 141533-35-9
• SMILES: C1=CC=CC2=C1[S](=O)(=O)N(C2=O)CCCCN5CCN(C3=C4C(=CC=C3)[NH]C(=C4)C(OC)=O)CC5
• InChI: 1S/C25H28N4O5S/c1-34-25(31)21-17-19-20(26-21)8-6-9-22(19)28-15-13-27(14-16-28)11-4-5-12-29-24(30)18-7-2-3-10-23(18)35(29,32)33/h2-3,6-10,17,26H,4-5,11-16H2,1H3
• InChIKey: LPPRLWFUMJHAKF-UHFFFAOYSA-N

Properties

• Density: 1.37g/cm³ (Cal.)
• Boiling point: 725.085°C at 760 mmHg (Cal.)
• Flash point: 392.317°C (Cal.)