N-[(2S)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-cyclohepta[c]isoquinolin-7-yl]sulfuric diamide
[CAS# 917882-66-7]

Identification

• Name: N-[(2S)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-cyclohepta[c]isoquinolin-7-yl]sulfuric diamide
• Synonyms: Sulfamide,N-[(2S)-1,4-dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-
• Molecular Formula: C₂₄H₂₅N₅O₅S
• Molecular Weight: 495.55
• CAS Registry Number: 917882-66-7
• SMILES: CN1C=C(C=N1)C2=CC3=C(C=C2)C4=CC=CC=C(C4=NC3=O)NS(=O)(=O)N(C)C[C@H]5COCCO5
• InChI: 1S/C24H25N5O5S/c1-28-13-17(12-25-28)16-7-8-19-20-5-3-4-6-22(23(20)26-24(30)21(19)11-16)27-35(31,32)29(2)14-18-15-33-9-10-34-18/h3-8,11-13,18,27H,9-10,14-15H2,1-2H3/t18-/m0/s1
• InChIKey: HMNORARHTSZGSM-SFHVURJKSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 770.4±70.0°C at 760 mmHg (Cal.)
• Flash point: 419.7±35.7°C (Cal.)
• Refractive index: 1.693 (Cal.)