1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide

C106H115Cl4F6N5O19 — CID 162127927

IUPAC1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide
SMILESCC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-c2cn([C@H]3C[C@H]4C[C@@H]3C[C@@H]4CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)cn2)cc1F.Cc1ccc(-c2ncc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)o2)cc1F
InChIInChI=1S/C28H28ClFN2O3.C27H34ClF2NO6.C26H23ClFNO4.C25H30ClF2NO6/c1-15-2-3-16(8-22(15)30)23-13-32(14-31-23)24-9-17-6-19(24)7-18(17)10-26(34)28-12-25(33)21-11-20(29)4-5-27(21)35-28;1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;1-14-2-3-15(6-18(14)28)24-29-10-23(33-24)26-11-25(12-26,13-26)9-20(31)22-8-19(30)17-7-16(27)4-5-21(17)32-22;1-23(27,28)35-16-7-15(8-16)33-11-22(32)29-25-5-4-24(12-25,13-25)10-19(31)21-9-18(30)17-6-14(26)2-3-20(17)34-21/h2-5,8,11,13-14,17-19,24-25,28,33H,6-7,9-10,12H2,1H3;2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2-7,10,19,22,30H,8-9,11-13H2,1H3;2-3,6,15-16,18,21,30H,4-5,7-13H2,1H3,(H,29,32)/t17-,18-,19-,24+,25-,28-;17?,18?,20-,23-,26?,27?;19-,22-,25?,26?;15?,16?,18-,21-,24?,25?/m1111/s1
InChIKeyZIHBWHYWCDUVEH-JJOOWDAASA-N
MW2018.90 g/mol
LogP20.75
Rot. Bonds28

About 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide

1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide (PubChem CID 162127927) has the molecular formula C106H115Cl4F6N5O19 and a molecular weight of 2018.90 g/mol. Its IUPAC name is 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound Name1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide
PubChem CID162127927
Molecular FormulaC106H115Cl4F6N5O19
Molecular Weight2018.90 g/mol
Exact Mass2015.68
IUPAC Name1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide
SMILESCC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-c2cn([C@H]3C[C@H]4C[C@@H]3C[C@@H]4CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)cn2)cc1F.Cc1ccc(-c2ncc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)o2)cc1F
InChIInChI=1S/C28H28ClFN2O3.C27H34ClF2NO6.C26H23ClFNO4.C25H30ClF2NO6/c1-15-2-3-16(8-22(15)30)23-13-32(14-31-23)24-9-17-6-19(24)7-18(17)10-26(34)28-12-25(33)21-11-20(29)4-5-27(21)35-28;1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;1-14-2-3-15(6-18(14)28)24-29-10-23(33-24)26-11-25(12-26,13-26)9-20(31)22-8-19(30)17-7-16(27)4-5-21(17)32-22;1-23(27,28)35-16-7-15(8-16)33-11-22(32)29-25-5-4-24(12-25,13-25)10-19(31)21-9-18(30)17-6-14(26)2-3-20(17)34-21/h2-5,8,11,13-14,17-19,24-25,28,33H,6-7,9-10,12H2,1H3;2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2-7,10,19,22,30H,8-9,11-13H2,1H3;2-3,6,15-16,18,21,30H,4-5,7-13H2,1H3,(H,29,32)/t17-,18-,19-,24+,25-,28-;17?,18?,20-,23-,26?,27?;19-,22-,25?,26?;15?,16?,18-,21-,24?,25?/m1111/s1
InChIKeyZIHBWHYWCDUVEH-JJOOWDAASA-N
XLogP20.75
TPSA325.09 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds28
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002018.90
LogP ≤ 520.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[4-[3-(1,1-difluoroethoxy)cyclobutyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[5-[3-(1,1-difluoroethoxy)cyclobutyl]-1,3-oxazol-2-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;1-[(2S,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[4-[3-(4-methylphenyl)azetidine-1-carbonyl]cyclohexyl]ethanone;1-[3-[2-[(2R)-6-chloro-4-oxo-2,3-dihydrochromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-3-(4-methylphenyl)imidazolidin-2-one
CID 162197832

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide (CID 162127927) is 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide is CC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(C2)C3)C1.CC(F)(F)OC1CC(OCC(=O)NC23CCC(CC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)CC3)C1.Cc1ccc(-c2cn([C@H]3C[C@H]4C[C@@H]3C[C@@H]4CC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)cn2)cc1F.Cc1ccc(-c2ncc(C34CC(CC(=O)[C@H]5C[C@@H](O)c6cc(Cl)ccc6O5)(C3)C4)o2)cc1F.
What is the InChIKey of 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide?
The InChIKey is ZIHBWHYWCDUVEH-JJOOWDAASA-N. The full InChI is InChI=1S/C28H28ClFN2O3.C27H34ClF2NO6.C26H23ClFNO4.C25H30ClF2NO6/c1-15-2-3-16(8-22(15)30)23-13-32(14-31-23)24-9-17-6-19(24)7-18(17)10-26(34)28-12-25(33)21-11-20(29)4-5-27(21)35-28;1-25(29,30)37-18-11-17(12-18)35-15-24(34)31-27-7-4-26(5-8-27,6-9-27)14-21(33)23-13-20(32)19-10-16(28)2-3-22(19)36-23;1-14-2-3-15(6-18(14)28)24-29-10-23(33-24)26-11-25(12-26,13-26)9-20(31)22-8-19(30)17-7-16(27)4-5-21(17)32-22;1-23(27,28)35-16-7-15(8-16)33-11-22(32)29-25-5-4-24(12-25,13-25)10-19(31)21-9-18(30)17-6-14(26)2-3-20(17)34-21/h2-5,8,11,13-14,17-19,24-25,28,33H,6-7,9-10,12H2,1H3;2-3,10,17-18,20,23,32H,4-9,11-15H2,1H3,(H,31,34);2-7,10,19,22,30H,8-9,11-13H2,1H3;2-3,6,15-16,18,21,30H,4-5,7-13H2,1H3,(H,29,32)/t17-,18-,19-,24+,25-,28-;17?,18?,20-,23-,26?,27?;19-,22-,25?,26?;15?,16?,18-,21-,24?,25?/m1111/s1.
What are the key properties of 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide?
1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide has a molecular weight of 2018.90 g/mol, XLogP of 20.75, 28 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[(1R,2R,4R,5S)-5-[4-(3-fluoro-4-methylphenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]ethanone;1-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-[3-[2-(3-fluoro-4-methylphenyl)-1,3-oxazol-5-yl]-1-bicyclo[1.1.1]pentanyl]ethanone;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.1.1]hexanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide;N-[4-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[2.2.2]octanyl]-2-[3-(1,1-difluoroethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 162127927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).