7-DIETHYLAMINO-3-(4-MALEIMIDOPHENYL)-4-METHYLCOUMARIN

The 1H-Pyrrole-2,5-dione,1-[4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl]-, with the CAS registry number 76877-33-3, is also known as 1-{4-[7-(Diethylamino)-4-methyl-2-oxo-2H-chromen-3-yl]phenyl}-1H-pyrrole-2,5-dione. It belongs to the product category of Coumarines. This chemical's molecular formula is C₂₄H₂₂N₂O₄ and molecular weight is 402.44. What's more, its IUPAC name is called 1-[4-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]phenyl]pyrrole-2,5-dione. This chemical's classification codes are Coloring Agents; Fluorescent Dyes; Indicators and Reagents; Luminescent Agents. It can be used as intermediates of medicine and pesticide.

Physical properties about 1H-Pyrrole-2,5-dione,1-[4-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]phenyl]- are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.22; (4)ACD/LogD (pH 7.4): 5.22; (5)ACD/BCF (pH 5.5): 5435.29; (6)ACD/BCF (pH 7.4): 5467.56; (7)ACD/KOC (pH 5.5): 16387.96; (8)ACD/KOC (pH 7.4): 16485.24; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.92 Å²; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 112.55 cm³; (15)Molar Volume: 309 cm³; (16)Surface Tension: 57.2 dyne/cm; (17)Density: 1.302 g/cm³; (18)Flash Point: 328 °C; (19)Enthalpy of Vaporization: 91.73 kJ/mol; (20)Boiling Point: 618.7 °C at 760 mmHg; (21)Vapour Pressure: 3.09E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C/C(=O)N1c4ccc(C\2=C(\c3c(OC/2=O)cc(cc3)N(CC)CC)C)cc4
(2) InChI: InChI=1/C24H22N2O4/c1-4-25(5-2)18-10-11-19-15(3)23(24(29)30-20(19)14-18)16-6-8-17(9-7-16)26-21(27)12-13-22(26)28/h6-14H,4-5H2,1-3H3
(3) InChIKey: YGIABALXNBVHBX-UHFFFAOYAU