4-[(5-Chloro-2-thienyl)methyl]-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
[CAS# 909668-83-3]

Identification

• Name: 4-[(5-Chloro-2-thienyl)methyl]-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-1,4-diazepan-5-one
• Synonyms: 4-[(5-chloro-2-thienyl)methyl]-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1,4-diazepan-5-one
• Molecular Formula: C₁₇H₁₇ClF₃N₃OS
• Molecular Weight: 403.85
• CAS Registry Number: 909668-83-3
• SMILES: Clc3ccc(CN2CCN(Cc1ccc(nc1)C(F)(F)F)CCC2=O)s3
• InChI: 1S/C17H17ClF3N3OS/c18-15-4-2-13(26-15)11-24-8-7-23(6-5-16(24)25)10-12-1-3-14(22-9-12)17(19,20)21/h1-4,9H,5-8,10-11H2
• InChIKey: PTEMVPBYMCJMFC-UHFFFAOYSA-N

Properties

• Density: 1.404g/cm³ (Cal.)
• Boiling point: 506.253°C at 760 mmHg (Cal.)
• Flash point: 259.973°C (Cal.)
• Refractive index: 1.574 (Cal.)