2-{[4-(2-{[(2,4-Difluorophenyl)Carbamoyl](Heptyl)Amino}Ethyl)Phenyl]Sulfanyl}-2-Methylpropanoic Acid
[CAS# 247923-29-1]

Identification

• Name: 2-{[4-(2-{[(2,4-Difluorophenyl)Carbamoyl](Heptyl)Amino}Ethyl)Phenyl]Sulfanyl}-2-Methylpropanoic Acid
• Synonyms: "2-[[4-[2-[[[(2,4-difluorophenyl)amino]carbonyl]heptylamino]ethyl]phenyl]thio]-2-methyl-propanoic acid"; 2-(2-(3-(2,4-difluorophenyl)-1-heptylureido)-2,3-dihydro-1H-inden-5-ylthio)-2-methylpropanoic acid; 2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenylthio)-2-methylpropanoic acid
• Molecular Formula: C₂₆H₃₄F₂N₂O₃S
• Molecular Weight: 492.62
• CAS Registry Number: 247923-29-1
• SMILES: CCCCCCCN(CCC1=CC=C(C=C1)SC(C)(C)C(=O)O)C(=O)NC2=C(C=C(C=C2)F)F
• InChI: 1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
• InChIKey: KYQNYMXQHLMADB-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 641.7±55.0°C at 760 mmHg (Cal.)
• Flash point: 341.9±31.5°C (Cal.)
• Refractive index: 1.574 (Cal.)