IUPAC Name :1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI :InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
Std.InChI: InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
InChIKey :XMAYWYJOQHXEEK-ZEQKJWHPBO
Std.InChIKey: XMAYWYJOQHXEEK-ZEQKJWHPSA-N
SMILES :O=C(N5CCN(c4ccc(OC[C@H]1O[C@@](OC1)(c2ccc(Cl)cc2Cl)Cn3ccnc3)cc4)CC5)C
MDL: MFCD00058579
Molar Refractivity :139.11 ± 0.5 cm3 (est)
Parachor :1034.5 ± 8.0 cm3 (est)
Index of Refraction :1.642 ± 0.05
(est)
Surface Tension :52.1 ± 7.0 dyne/cm (est)
Density :1.38 ± 0.1 g/cm3 (est)
Polarizability :55.15 ± 0.5 10-24cm3 (est)