2-(4-Aminophenyl)-3-{[Benzyl(Methyl)Amino]Methyl}-7-(2,6-Difluorobenzyl)-5-Isobutyrylthieno[2,3-b]Pyridin-4(7H)-One
[CAS# 174072-26-5]

Identification

• Name: 2-(4-Aminophenyl)-3-{[Benzyl(Methyl)Amino]Methyl}-7-(2,6-Difluorobenzyl)-5-Isobutyrylthieno[2,3-b]Pyridin-4(7H)-One
• Synonyms: 2-(4-Amino-phenyl)-3-[(benzyl-methyl-amino)-methyl]-; 7-(2,6-difluoro-benzyl)-5-isobutyryl-7H-thieno[2,3-b]pyridin-4-one; 2-(4-Amino-phenyl)-3-[(benzyl-methyl-amino)-methyl]-7-(2,6-difluoro-benzyl)-5-isobutyryl-7H-thieno[2,3-b]pyridin-4-one
• Molecular Formula: C₃₃H₃₁F₂N₃O₂S
• Molecular Weight: 571.68
• CAS Registry Number: 174072-26-5
• SMILES: CC(C)C(=O)C1=CN(C2=C(C1=O)C(=C(S2)C3=CC=C(C=C3)N)CN(C)CC4=CC=CC=C4)CC5=C(C=CC=C5F)F
• InChI: 1S/C33H31F2N3O2S/c1-20(2)30(39)26-19-38(18-24-27(34)10-7-11-28(24)35)33-29(31(26)40)25(17-37(3)16-21-8-5-4-6-9-21)32(41-33)22-12-14-23(36)15-13-22/h4-15,19-20H,16-18,36H2,1-3H3
• InChIKey: TTYJJHMUWWWXSO-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 724.6±60.0°C at 760 mmHg (Cal.)
• Flash point: 392.1±32.9°C (Cal.)
• Refractive index: 1.641 (Cal.)