3-Pyridinecarboxylicacid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ylester

The 3-Pyridinecarboxylicacid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ylester, with the CAS registry number 43119-47-7, is also known as 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-yl pyridine-3-carboxylate. It belongs to the product category of Organics. Its EINECS registry number is 257-501-4. This chemical's molecular formula is C₃₅H₅₃NO₃ and molecular weight is 535.8. What's more, its IUPAC name is called [(2R)-2,5,7,8-Tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] pyridine-3-carboxylate. The classification code is Drug / Therapeutic Agent.

Physical properties about 3-Pyridinecarboxylicacid,(2R)-3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ylester are: (1)ACD/LogP: 12.81; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.81; (4)ACD/LogD (pH 7.4): 12.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.514; (14)Molar Refractivity: 162.91 cm³; (15)Molar Volume: 540.9 cm³; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 0.99 g/cm³; (18)Flash Point: 346.3 °C; (19)Enthalpy of Vaporization: 95.68 kJ/mol; (20)Boiling Point: 649 °C at 760 mmHg; (21)Vapour Pressure: 9.93E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)c3cccnc3
(2) InChI: InChI=1/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3
(3) InChIKey: MSCCTZZBYHQMQJ-UHFFFAOYAV

The toxicity data is as follows: