3-[2,6-Di(Propan-2-Yl)Phenyl]-1-[[1-[1-(Pyridin-3-Ylmethyl)Indol-3-Yl]Cyclopentyl]Methyl]Urea
[CAS# 145131-54-0]

Identification

• Name: 3-[2,6-Di(Propan-2-Yl)Phenyl]-1-[[1-[1-(Pyridin-3-Ylmethyl)Indol-3-Yl]Cyclopentyl]Methyl]Urea
• Synonyms: 3-(2,6-Diisopropylphenyl)-1-[[1-[1-(3-Pyridylmethyl)Indol-3-Yl]Cyclopentyl]Methyl]Urea; 3-(2,6-Diisopropylphenyl)-1-[[1-[1-(3-Pyridylmethyl)-3-Indolyl]Cyclopentyl]Methyl]Urea; Urea, N-(2,6-Bis(1-Methylethyl)Phenyl)-N'-((1-(1-(3-Pyridinylmethyl)-1H-Indol-3-Yl)Cyclopentyl)Methyl)-
• Molecular Formula: C₃₃H₄₀N₄O
• Molecular Weight: 508.71
• CAS Registry Number: 145131-54-0
• SMILES: C3=C(C2(CNC(NC1=C(C=CC=C1C(C)C)C(C)C)=O)CCCC2)C5=C([N]3CC4=CC=CN=C4)C=CC=C5
• InChI: 1S/C33H40N4O/c1-23(2)26-13-9-14-27(24(3)4)31(26)36-32(38)35-22-33(16-7-8-17-33)29-21-37(20-25-11-10-18-34-19-25)30-15-6-5-12-28(29)30/h5-6,9-15,18-19,21,23-24H,7-8,16-17,20,22H2,1-4H3,(H2,35,36,38)
• InChIKey: VWEPDBWXFIWIQR-UHFFFAOYSA-N

Properties

• Density: 1.144g/cm³ (Cal.)
• Boiling point: 659.648°C at 760 mmHg (Cal.)
• Flash point: 352.743°C (Cal.)