tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)

C143H209Cl4F6N23O29Si2 — CID 159809999

IUPACtert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)
SMILESCC(C)(C)OC(=O)N1CC2(CCNC2)C1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(C(=O)OC)C4)C3)n2)c1.COC(=O)N1CCC2(C1)CN(C(=O)OC(C)(C)C)C2.COC(=O)N1CCC2(C1)CN(c1nc(-c3cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.COC(=O)N1CCC2(CNC2)C1.COC(=O)N1CCC2(CNC2)C1.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(Cl)c1C.O=CC(F)(F)F.O=CC(F)(F)F
InChIInChI=1S/C39H57ClN6O7Si.C31H44Cl2N4O5Si.C29H36ClN5O5.C13H22N2O4.C11H20N2O2.2C8H14N2O2.2C2HF3O/c1-24-32(31-25(2)43-52-26(31)3)41-33(42-34(24)46-22-39(23-46)16-17-45(21-39)36(48)49-11)29-18-27(14-15-30(29)40)50-20-28(53-54(12,13)38(7,8)9)19-44(10)35(47)51-37(4,5)6;1-18-26(25-19(2)36-41-20(25)3)34-28(35-27(18)33)23-15-21(13-14-24(23)32)39-17-22(42-43(11,12)31(7,8)9)16-37(10)29(38)40-30(4,5)6;1-6-7-20(36)13-39-21-8-9-23(30)22(12-21)26-31-25(24-18(3)33-40-19(24)4)17(2)27(32-26)35-15-29(16-35)10-11-34(14-29)28(37)38-5;1-12(2,3)19-11(17)15-8-13(9-15)5-6-14(7-13)10(16)18-4;1-10(2,3)15-9(14)13-7-11(8-13)4-5-12-6-11;2*1-12-7(11)10-3-2-8(6-10)4-9-5-8;2*3-2(4,5)1-6/h14-15,18,28H,16-17,19-23H2,1-13H3;13-15,22H,16-17H2,1-12H3;8-9,12,20,36H,6-7,10-11,13-16H2,1-5H3;5-9H2,1-4H3;12H,4-8H2,1-3H3;2*9H,2-6H2,1H3;2*1H/t28-;22-;20-;;;;;;/m111....../s1
InChIKeyNKXAORYSRZFTNZ-GRXZQTRYSA-N
MW3026.35 g/mol
LogP26.66
Rot. Bonds27

About tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)

tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) (PubChem CID 159809999) has the molecular formula C143H209Cl4F6N23O29Si2 and a molecular weight of 3026.35 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde).

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)
PubChem CID159809999
Molecular FormulaC143H209Cl4F6N23O29Si2
Molecular Weight3026.35 g/mol
Exact Mass3022.38
IUPAC Nametert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)
SMILESCC(C)(C)OC(=O)N1CC2(CCNC2)C1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(C(=O)OC)C4)C3)n2)c1.COC(=O)N1CCC2(C1)CN(C(=O)OC(C)(C)C)C2.COC(=O)N1CCC2(C1)CN(c1nc(-c3cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.COC(=O)N1CCC2(CNC2)C1.COC(=O)N1CCC2(CNC2)C1.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(Cl)c1C.O=CC(F)(F)F.O=CC(F)(F)F
InChIInChI=1S/C39H57ClN6O7Si.C31H44Cl2N4O5Si.C29H36ClN5O5.C13H22N2O4.C11H20N2O2.2C8H14N2O2.2C2HF3O/c1-24-32(31-25(2)43-52-26(31)3)41-33(42-34(24)46-22-39(23-46)16-17-45(21-39)36(48)49-11)29-18-27(14-15-30(29)40)50-20-28(53-54(12,13)38(7,8)9)19-44(10)35(47)51-37(4,5)6;1-18-26(25-19(2)36-41-20(25)3)34-28(35-27(18)33)23-15-21(13-14-24(23)32)39-17-22(42-43(11,12)31(7,8)9)16-37(10)29(38)40-30(4,5)6;1-6-7-20(36)13-39-21-8-9-23(30)22(12-21)26-31-25(24-18(3)33-40-19(24)4)17(2)27(32-26)35-15-29(16-35)10-11-34(14-29)28(37)38-5;1-12(2,3)19-11(17)15-8-13(9-15)5-6-14(7-13)10(16)18-4;1-10(2,3)15-9(14)13-7-11(8-13)4-5-12-6-11;2*1-12-7(11)10-3-2-8(6-10)4-9-5-8;2*3-2(4,5)1-6/h14-15,18,28H,16-17,19-23H2,1-13H3;13-15,22H,16-17H2,1-12H3;8-9,12,20,36H,6-7,10-11,13-16H2,1-5H3;5-9H2,1-4H3;12H,4-8H2,1-3H3;2*9H,2-6H2,1H3;2*1H/t28-;22-;20-;;;;;;/m111....../s1
InChIKeyNKXAORYSRZFTNZ-GRXZQTRYSA-N
XLogP26.66
TPSA564.38 Ų
H-Bond Donors4
H-Bond Acceptors43
Rotatable Bonds27
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003026.35
LogP ≤ 526.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)?
The IUPAC name of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) (CID 159809999) is tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde).
What is the SMILES notation for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)?
The canonical SMILES for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) is CC(C)(C)OC(=O)N1CC2(CCNC2)C1.CCC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC4(CCN(C(=O)OC)C4)C3)n2)c1.COC(=O)N1CCC2(C1)CN(C(=O)OC(C)(C)C)C2.COC(=O)N1CCC2(C1)CN(c1nc(-c3cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc3Cl)nc(-c3c(C)noc3C)c1C)C2.COC(=O)N1CCC2(CNC2)C1.COC(=O)N1CCC2(CNC2)C1.Cc1noc(C)c1-c1nc(-c2cc(OC[C@@H](CN(C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)ccc2Cl)nc(Cl)c1C.O=CC(F)(F)F.O=CC(F)(F)F.
What is the InChIKey of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)?
The InChIKey is NKXAORYSRZFTNZ-GRXZQTRYSA-N. The full InChI is InChI=1S/C39H57ClN6O7Si.C31H44Cl2N4O5Si.C29H36ClN5O5.C13H22N2O4.C11H20N2O2.2C8H14N2O2.2C2HF3O/c1-24-32(31-25(2)43-52-26(31)3)41-33(42-34(24)46-22-39(23-46)16-17-45(21-39)36(48)49-11)29-18-27(14-15-30(29)40)50-20-28(53-54(12,13)38(7,8)9)19-44(10)35(47)51-37(4,5)6;1-18-26(25-19(2)36-41-20(25)3)34-28(35-27(18)33)23-15-21(13-14-24(23)32)39-17-22(42-43(11,12)31(7,8)9)16-37(10)29(38)40-30(4,5)6;1-6-7-20(36)13-39-21-8-9-23(30)22(12-21)26-31-25(24-18(3)33-40-19(24)4)17(2)27(32-26)35-15-29(16-35)10-11-34(14-29)28(37)38-5;1-12(2,3)19-11(17)15-8-13(9-15)5-6-14(7-13)10(16)18-4;1-10(2,3)15-9(14)13-7-11(8-13)4-5-12-6-11;2*1-12-7(11)10-3-2-8(6-10)4-9-5-8;2*3-2(4,5)1-6/h14-15,18,28H,16-17,19-23H2,1-13H3;13-15,22H,16-17H2,1-12H3;8-9,12,20,36H,6-7,10-11,13-16H2,1-5H3;5-9H2,1-4H3;12H,4-8H2,1-3H3;2*9H,2-6H2,1H3;2*1H/t28-;22-;20-;;;;;;/m111....../s1.
What are the key properties of tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde)?
tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) has a molecular weight of 3026.35 g/mol, XLogP of 26.66, 27 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[4-chloro-3-[4-chloro-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]propyl]-N-methylcarbamate;tert-butyl 2,7-diazaspiro[3.4]octane-2-carboxylate;2-O-tert-butyl 7-O-methyl 2,7-diazaspiro[3.4]octane-2,7-dicarboxylate;methyl 2-[2-[5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propoxy]-2-chlorophenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;methyl 2-[2-[2-chloro-5-[(2R)-2-hydroxypentoxy]phenyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-4-yl]-2,7-diazaspiro[3.4]octane-7-carboxylate;bis(methyl 2,6-diazaspiro[3.4]octane-6-carboxylate);bis(2,2,2-trifluoroacetaldehyde) is sourced from PubChem (CID 159809999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).