Ipazilide fumarate

The Ipazilide fumarate, with the CAS registry number 115436-74-3, is also known as 1H-Pyrazole-1-acetamide, N-(3-(diethylamino)propyl)-4,5-diphenyl-, (E)-2-butenedioate (1:1). This chemical's molecular formula is C₂₈H₃₄N₄O₅ and molecular weight is 506.59336. Its IUPAC name is called (E)-but-2-enedioic acid; N-[3-(diethylamino)propyl]-2-(4,5-diphenylpyrazol-1-yl)acetamide. This chemical's classification codes are Cardiac depressant [anti-arrhythmic]; Drug / Therapeutic Agent.

Physical properties of Ipazilide fumarate: (1)ACD/LogP: 3.53; (2)ACD/LogD (pH 5.5): 0.44; (3)ACD/LogD (pH 7.4): 0.9; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.61; (7)ACD/KOC (pH 7.4): 4.7; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 10; (11)Flash Point: 298.4 °C; (12)Enthalpy of Vaporization: 85.47 kJ/mol; (13)Boiling Point: 569.7 °C at 760 mmHg; (14)Vapour Pressure: 5.4E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O
(2)Isomeric SMILES: CCN(CC)CCCNC(=O)CN1C(=C(C=N1)C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O
(3)InChI: InChI=1S/C24H30N4O.C4H4O4/c1-3-27(4-2)17-11-16-25-23(29)19-28-24(21-14-9-6-10-15-21)22(18-26-28)20-12-7-5-8-13-20;5-3(6)1-2-4(7)8/h5-10,12-15,18H,3-4,11,16-17,19H2,1-2H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1+
(4)InChIKey: KKMOBFCMCCFTDX-WLHGVMLRSA-N

The toxicity data is as follows: