8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[2-(4-Isothiocyanatophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
[CAS# 135261-88-0]

Identification

• Name: 8-[4-(4-Fluorophenyl)-4-Oxobutyl]-3-[2-(4-Isothiocyanatophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One
• Synonyms: 8-[4-(4-Fluorophenyl)-4-Oxo-Butyl]-3-[2-(4-Isothiocyanatophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; 8-[4-(4-Fluorophenyl)-4-Keto-Butyl]-3-[2-(4-Isothiocyanatophenyl)Ethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One; Lopac-N-140
• Molecular Formula: C₃₂H₃₃FN₄O₂S
• Molecular Weight: 556.70
• CAS Registry Number: 135261-88-0
• SMILES: S=C=NC5=CC=C(CCN2C(C4(N(C1=CC=CC=C1)C2)CCN(CCCC(C3=CC=C(F)C=C3)=O)CC4)=O)C=C5
• InChI: 1S/C32H33FN4O2S/c33-27-12-10-26(11-13-27)30(38)7-4-19-35-21-17-32(18-22-35)31(39)36(24-37(32)29-5-2-1-3-6-29)20-16-25-8-14-28(15-9-25)34-23-40/h1-3,5-6,8-15H,4,7,16-22,24H2
• InChIKey: UWMHXIDTSXFMCR-UHFFFAOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 754.692°C at 760 mmHg (Cal.)
• Flash point: 410.223°C (Cal.)