5-(2'-Naphthyl)-7-4-Chlorophenyl-(2,3,6,8-Tetrahydro)Pyrrolo[3,4-e][1,4]Diazepine-6-Thioxo-8-(1H,7H)One
[CAS# 96935-47-6]

Identification

• Name: 5-(2'-Naphthyl)-7-4-Chlorophenyl-(2,3,6,8-Tetrahydro)Pyrrolo[3,4-e][1,4]Diazepine-6-Thioxo-8-(1H,7H)One
• Synonyms: 7-(4-Chlorophenyl)-5-(2-Naphthyl)-6-Thioxo-2,3-Dihydro-1H-Pyrrolo[4,3-F][1,4]Diazepin-8-One; 7-(4-Chlorophenyl)-2,3,6,7-Tetrahydro-5-(2-Naphthalenyl)-6-Thioxopyrrolo(3,4-E)-1,4-Diazepin-8(1H)-One; Pdcl
• Molecular Formula: C₂₃H₁₆ClN₃OS
• Molecular Weight: 417.91
• CAS Registry Number: 96935-47-6 (96957-27-6)
• SMILES: C1=C5C(=CC=C1C2=NCCNC3=C2C(=S)N(C3=O)C4=CC=C(Cl)C=C4)C=CC=C5
• InChI: 1S/C23H16ClN3OS/c24-17-7-9-18(10-8-17)27-22(28)21-19(23(27)29)20(25-11-12-26-21)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13,26H,11-12H2
• InChIKey: LBJBPGRQRGLKPL-UHFFFAOYSA-N

Properties

• Density: 1.414g/cm³ (Cal.)
• Boiling point: 581.264°C at 760 mmHg (Cal.)
• Flash point: 305.338°C (Cal.)