The Pyrimido(4, 5-d)pyrimidin-4(1H)-one, 2, 3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-7-methyl-1-phenyl-2-thioxo-, with the CAS registry number 142287-34-1, is also known as 8-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-3-methyl-10-phenyl-9-sulfanylidene-2,4,8,10-tetrazabicyclo[4.4.0]deca-1,3,5-trien-7-one. This chemical's molecular formula is C₂₆H₂₇ClN₆OS and molecular weight is 507.0502. What's more, its IUPAC name is 3-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-7-methyl-1-phenyl-2-sulfanylidenepyrimido[4, 5-d]pyrimidin-4-one. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about Pyrimido(4, 5-d)pyrimidin-4(1H)-one, 2, 3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-7-methyl-1-phenyl-2-thioxo- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 24.25; (6)ACD/BCF (pH 7.4): 161.39; (7)ACD/KOC (pH 5.5): 194.82; (8)ACD/KOC (pH 7.4): 1296.33; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 87.9 Å²; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 141.56 cm³; (15)Molar Volume: 357.6 cm³; (16)Polarizability: 56.12×10^-24 cm³; (17)Surface Tension: 81.6 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 361.3 °C; (20)Enthalpy of Vaporization: 98.95 kJ/mol; (21)Boiling Point: 673.7 °C at 760 mmHg; (22)Vapour Pressure: 5.18E-18 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc5cccc(N4CCN(CCCN3C(=O)c1cnc(nc1N(c2ccccc2)C3=S)C)CC4)c5
(2) InChI: InChI=1/C26H27ClN6OS/c1-19-28-18-23-24(29-19)33(21-8-3-2-4-9-21)26(35)32(25(23)34)12-6-11-30-13-15-31(16-14-30)22-10-5-7-20(27)17-22/h2-5,7-10,17-18H,6,11-16H2,1H3
(3) InChIKey: OBBCRROUKFAFCR-UHFFFAOYAK

The toxicity data is as follows: