IUPAC Name :N-[(2Z)-10-butan-2-yl-6-(2-methylpropyl)-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-1-methylpyrrolidine-2-carboxamide
InChI :InChI=1/C27H40N4O4/c1-6-18(4)24-23(30-26(33)22-8-7-15-31(22)5)27(34)29-21(16-17(2)3)25(32)28-14-13-19-9-11-20(35-24)12-10-19/h9-14,17-18,21-24H,6-8,15-16H2,1-5H3,(H,28,32)(H,29,34)(H,30,33)/b14-13-
Std.InChI: InChI=1S/C27H40N4O4/c1-6-18(4)24-23(30-26(33)22-8-7-15-31(22)5)27(34)29-21(16-17(2)3)25(32)28-14-13-19-9-11-20(35-24)12-10-19/h9-14,17-18,21-24H,6-8,15-16H2,1-5H3,(H,28,32)(H,29,34)(H,30,33)/b14-13-
InChIKey :HURFCPCPTXOVJN-YPKPFQOOBV
Std.InChIKey: HURFCPCPTXOVJN-YPKPFQOOSA-N
SMILES :CCC(C)C1C(C(=O)NC(C(=O)N/C=C\C2=CC=C(O1)C=C2)CC(C)C)NC(=O)C3CCCN3C
Molar Refractivity :135.47 ± 0.5 cm3 (est)
Parachor :1024.4 ± 8.0 cm3 (est)
Index of Refraction :1.592 ± 0.05
(est)
Surface Tension :42.9 ± 7.0 dyne/cm (est)
Density :1.21 ± 0.1 g/cm3 (est)
Polarizability :53.70 ± 0.5 10-24cm3 (est)