2-[(2S)-2-Butanyl]-4-{4-[4-(4-Methoxyphenyl)-1-Piperazinyl]Phenyl}-2,4-Dihydro-3H-1,2,4-Triazol-3-One
[CAS# 153896-47-0]

Identification

• Name: 2-[(2S)-2-Butanyl]-4-{4-[4-(4-Methoxyphenyl)-1-Piperazinyl]Phenyl}-2,4-Dihydro-3H-1,2,4-Triazol-3-One
• Synonyms: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-[4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl]-2-(1-methylpropyl)-, (S)-; TL8001155
• Molecular Formula: C₂₃H₂₉N₅O₂
• Molecular Weight: 407.51
• CAS Registry Number: 153896-47-0
• SMILES: O=C1N(/N=C\N1c4ccc(N3CCN(c2ccc(OC)cc2)CC3)cc4)[C@@H](C)CC
• InChI: 1S/C23H29N5O2/c1-4-18(2)28-23(29)27(17-24-28)21-7-5-19(6-8-21)25-13-15-26(16-14-25)20-9-11-22(30-3)12-10-20/h5-12,17-18H,4,13-16H2,1-3H3/t18-/m0/s1
• InChIKey: IVIVGYTUQVJVPF-SFHVURJKSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 572.422°C at 760 mmHg (Cal.)
• Flash point: 299.991°C (Cal.)
• Refractive index: 1.622 (Cal.)