Benzoic acid,3-[2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-(1-methylethyl)-4-isoxazolyl]methoxy]phenyl]ethenyl]- (278779-30-9)

The GW 4064 with cas registry number of 278779-30-9, belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals. Its systematic name and its IUPAC name are the same, which is 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid.

Physical properties about this chemical are: (1)ACD/LogP: 9.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 75807; (6)ACD/BCF (pH 7.4): 2168; (7)ACD/KOC (pH 5.5): 44924; (8)ACD/KOC (pH 7.4): 1285; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.56 Å²; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 145.596 cm³; (15)Molar Volume: 397.102 cm³; (16)Polarizability: 57.719×10^-24cm³; (17)Surface Tension: 54.114 dyne/cm; (18)Enthalpy of Vaporization: 107.897 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The GW 4064 is harmful if swallowed and it is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cccc(c1)\C=C\c4ccc(OCc3c(onc3c2c(Cl)cccc2Cl)C(C)C)cc4Cl
(2)InChI: InChI=1/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
(3)InChIKey: BYTNEISLBIENSA-MDZDMXLPBU
(4)Std. InChI: InChI=1S/C28H22Cl3NO4/c1-16(2)27-21(26(32-36-27)25-22(29)7-4-8-23(25)30)15-35-20-12-11-18(24(31)14-20)10-9-17-5-3-6-19(13-17)28(33)34/h3-14,16H,15H2,1-2H3,(H,33,34)/b10-9+
(5)Std. InChIKey: BYTNEISLBIENSA-MDZDMXLPSA-N