IUPAC Name :5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
InChI :InChI=1/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
Std.InChI: InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
InChIKey :MIJFNYMSCFYZNY-UHFFFAOYAL
Std.InChIKey: MIJFNYMSCFYZNY-UHFFFAOYSA-N
SMILES :CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC
Molar Refractivity :142.44 ± 0.5 cm3 (est)
Parachor :1070.0 ± 8.0 cm3 (est)
Index of Refraction :1.636 ± 0.05
(est)
Surface Tension :52.7 ± 7.0 dyne/cm (est)
Density :1.33 ± 0.1 g/cm3 (est)
Polarizability :56.47 ± 0.5 10-24cm3 (est)