IUPAC Name :N-[(2Z)-6-benzyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-[2-(dimethylamino)-3-methylpentanoyl]pyrrolidine-2-carboxamide
InChI :InChI=1/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22-
Std.InChI: InChI=1S/C39H47N5O5/c1-5-26(2)34(43(3)4)39(48)44-24-12-17-32(44)37(46)42-33-35(29-15-10-7-11-16-29)49-30-20-18-27(19-21-30)22-23-40-36(45)31(41-38(33)47)25-28-13-8-6-9-14-28/h6-11,13-16,18-23,26,31-35H,5,12,17,24-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b23-22-
InChIKey :JMILOTKBOBTKBB-FCQUAONHBJ
Std.InChIKey: JMILOTKBOBTKBB-FCQUAONHSA-N
SMILES :CCC(C)C(C(=O)N1CCCC1C(=O)NC2C(OC3=CC=C(C=C3)/C=C\NC(=O)C(NC2=O)CC4=CC=CC=C4)C5=CC=CC=C5)N(C)C
Molar Refractivity :190.67 ± 0.5 cm3 (est)
Parachor :1425.4 ± 8.0 cm3 (est)
Index of Refraction :1.618 ± 0.05
(est)
Surface Tension :47.0 ± 7.0 dyne/cm (est)
Density :1.22 ± 0.1 g/cm3 (est)
Polarizability :75.59 ± 0.5 10-24cm3 (est)