tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane

C151H159Cl9F5N7O20 — CID 159621895

IUPACtert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane
SMILESC.C.C.C.CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OC)c1ccc(Cl)cc1)C1CCN(CC(=O)OC(C)(C)C)CC1.COC1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCNCC3)cc2C(=O)N1Cc1ccc(Cl)cc1.CO[C@]1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCN(CC(=O)OC(C)(C)C)CC3)cc2C(=O)N1Cc1ccc(Cl)cc1.O=C(O)c1cc(C(=O)C2CCCCC2)cc(F)c1C(=O)c1ccc(Cl)cc1.O=C(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2(O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C36H41Cl2FN2O5.C34H35Cl2FN2O5.C28H25Cl2FN2O3.C28H24Cl2FNO3.C21H18ClFO4.4CH4/c1-6-35(44,24-15-17-40(18-16-24)22-31(42)46-34(2,3)4)26-19-29-32(30(39)20-26)36(45-5,25-9-13-28(38)14-10-25)41(33(29)43)21-23-7-11-27(37)12-8-23;1-33(2,3)44-29(40)20-38-15-13-22(14-16-38)31(41)23-17-27-30(28(37)18-23)34(43-4,24-7-11-26(36)12-8-24)39(32(27)42)19-21-5-9-25(35)10-6-21;1-36-28(20-4-8-22(30)9-5-20)25-23(27(35)33(28)16-17-2-6-21(29)7-3-17)14-19(15-24(25)31)26(34)18-10-12-32-13-11-18;29-21-10-6-17(7-11-21)16-32-27(34)23-14-19(26(33)18-4-2-1-3-5-18)15-24(31)25(23)28(32,35)20-8-12-22(30)13-9-20;22-15-8-6-13(7-9-15)20(25)18-16(21(26)27)10-14(11-17(18)23)19(24)12-4-2-1-3-5-12;;;;/h7-14,19-20,24,44H,6,15-18,21-22H2,1-5H3;5-12,17-18,22H,13-16,19-20H2,1-4H3;2-9,14-15,18,32H,10-13,16H2,1H3;6-15,18,35H,1-5,16H2;6-12H,1-5H2,(H,26,27);4*1H4/t35?,36-;34-;;;;;;;/m11......./s1
InChIKeyMNZLWFFGLSONQC-AOJQNAPESA-N
MW2806.03 g/mol
LogP34.44
Rot. Bonds33

About tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane

tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane (PubChem CID 159621895) has the molecular formula C151H159Cl9F5N7O20 and a molecular weight of 2806.03 g/mol. Its IUPAC name is tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane.

Molecular Properties

Compound Nametert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane
PubChem CID159621895
Molecular FormulaC151H159Cl9F5N7O20
Molecular Weight2806.03 g/mol
Exact Mass2799.88
IUPAC Nametert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane
SMILESC.C.C.C.CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OC)c1ccc(Cl)cc1)C1CCN(CC(=O)OC(C)(C)C)CC1.COC1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCNCC3)cc2C(=O)N1Cc1ccc(Cl)cc1.CO[C@]1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCN(CC(=O)OC(C)(C)C)CC3)cc2C(=O)N1Cc1ccc(Cl)cc1.O=C(O)c1cc(C(=O)C2CCCCC2)cc(F)c1C(=O)c1ccc(Cl)cc1.O=C(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2(O)c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C36H41Cl2FN2O5.C34H35Cl2FN2O5.C28H25Cl2FN2O3.C28H24Cl2FNO3.C21H18ClFO4.4CH4/c1-6-35(44,24-15-17-40(18-16-24)22-31(42)46-34(2,3)4)26-19-29-32(30(39)20-26)36(45-5,25-9-13-28(38)14-10-25)41(33(29)43)21-23-7-11-27(37)12-8-23;1-33(2,3)44-29(40)20-38-15-13-22(14-16-38)31(41)23-17-27-30(28(37)18-23)34(43-4,24-7-11-26(36)12-8-24)39(32(27)42)19-21-5-9-25(35)10-6-21;1-36-28(20-4-8-22(30)9-5-20)25-23(27(35)33(28)16-17-2-6-21(29)7-3-17)14-19(15-24(25)31)26(34)18-10-12-32-13-11-18;29-21-10-6-17(7-11-21)16-32-27(34)23-14-19(26(33)18-4-2-1-3-5-18)15-24(31)25(23)28(32,35)20-8-12-22(30)13-9-20;22-15-8-6-13(7-9-15)20(25)18-16(21(26)27)10-14(11-17(18)23)19(24)12-4-2-1-3-5-12;;;;/h7-14,19-20,24,44H,6,15-18,21-22H2,1-5H3;5-12,17-18,22H,13-16,19-20H2,1-4H3;2-9,14-15,18,32H,10-13,16H2,1H3;6-15,18,35H,1-5,16H2;6-12H,1-5H2,(H,26,27);4*1H4/t35?,36-;34-;;;;;;;/m11......./s1
InChIKeyMNZLWFFGLSONQC-AOJQNAPESA-N
XLogP34.44
TPSA343.15 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds33
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002806.03
LogP ≤ 534.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane with MolForge

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Related Compounds

2-(4-chlorobenzoyl)-3-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]benzoic acid;(3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]propanoic acid;ethyl (3S)-3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]propanoate;ethyl (3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]propanoate
CID 161160384
3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-6-(1-cyclohexyl-1-hydroxypropyl)-4-fluoro-3-methoxyisoindol-1-one
CID 145283200
2-(4-chlorobenzoyl)-3-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]benzoic acid;1-[[(1R)-1-(4-chlorophenyl)-2-[(5-cyano-2-pyridinyl)methyl]-7-fluoro-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-1-yl]oxymethyl]cyclopropane-1-carboxamide;6-[[1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[1-hydroxy-1-(oxan-4-yl)ethyl]-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 158386097
2-(4-chlorobenzoyl)-5-(cyclobutanecarbonyl)-3-fluorobenzoic acid
CID 135281640
prop-2-enyl (2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoate
CID 135281751
(2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoic acid;2-trimethylsilylethyl (2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoate
CID 158652618
methyl 3-[4-[[1-(4-chlorophenyl)-7-fluoro-1-methoxy-2-[(4-methylphenyl)methyl]-3-oxoisoindol-5-yl]-hydroxymethyl]piperidin-1-yl]propanoate
CID 145283257
6-[[1-(4-chlorophenyl)-7-fluoro-1-[[1-(hydroxymethyl)cyclopropyl]methoxy]-5-(1-hydroxy-1-piperidin-4-ylethyl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 135282959
6-[[(1R)-1-(4-chlorophenyl)-1-cyclopentyloxy-7-fluoro-5-(2-hydroxypropan-2-yl)-3-oxoisoindol-2-yl]methyl]pyridine-3-carbonitrile
CID 142440651
2-(trimethyl-λ4-sulfanyl)ethyl (2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-1-hydroxy-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-3-oxoisoindol-2-yl]-2-methylpropanoate
CID 170152204
(3R)-3-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)methyl]-4-fluoro-3-[[1-(hydroxymethyl)cyclopropyl]methoxy]-6-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]isoindol-1-one
CID 137498019
(3R)-3-(4-chlorophenyl)-2-[(5-chloropyrimidin-2-yl)methyl]-4-fluoro-6-[(1S)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-3-[(1S)-3-oxocyclopentyl]oxyisoindol-1-one
CID 175309472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane?
The IUPAC name of tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane (CID 159621895) is tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane.
What is the SMILES notation for tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane?
The canonical SMILES for tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane is C.C.C.C.CCC(O)(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)[C@@]2(OC)c1ccc(Cl)cc1)C1CCN(CC(=O)OC(C)(C)C)CC1.COC1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCNCC3)cc2C(=O)N1Cc1ccc(Cl)cc1.CO[C@]1(c2ccc(Cl)cc2)c2c(F)cc(C(=O)C3CCN(CC(=O)OC(C)(C)C)CC3)cc2C(=O)N1Cc1ccc(Cl)cc1.O=C(O)c1cc(C(=O)C2CCCCC2)cc(F)c1C(=O)c1ccc(Cl)cc1.O=C(c1cc(F)c2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2(O)c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane?
The InChIKey is MNZLWFFGLSONQC-AOJQNAPESA-N. The full InChI is InChI=1S/C36H41Cl2FN2O5.C34H35Cl2FN2O5.C28H25Cl2FN2O3.C28H24Cl2FNO3.C21H18ClFO4.4CH4/c1-6-35(44,24-15-17-40(18-16-24)22-31(42)46-34(2,3)4)26-19-29-32(30(39)20-26)36(45-5,25-9-13-28(38)14-10-25)41(33(29)43)21-23-7-11-27(37)12-8-23;1-33(2,3)44-29(40)20-38-15-13-22(14-16-38)31(41)23-17-27-30(28(37)18-23)34(43-4,24-7-11-26(36)12-8-24)39(32(27)42)19-21-5-9-25(35)10-6-21;1-36-28(20-4-8-22(30)9-5-20)25-23(27(35)33(28)16-17-2-6-21(29)7-3-17)14-19(15-24(25)31)26(34)18-10-12-32-13-11-18;29-21-10-6-17(7-11-21)16-32-27(34)23-14-19(26(33)18-4-2-1-3-5-18)15-24(31)25(23)28(32,35)20-8-12-22(30)13-9-20;22-15-8-6-13(7-9-15)20(25)18-16(21(26)27)10-14(11-17(18)23)19(24)12-4-2-1-3-5-12;;;;/h7-14,19-20,24,44H,6,15-18,21-22H2,1-5H3;5-12,17-18,22H,13-16,19-20H2,1-4H3;2-9,14-15,18,32H,10-13,16H2,1H3;6-15,18,35H,1-5,16H2;6-12H,1-5H2,(H,26,27);4*1H4/t35?,36-;34-;;;;;;;/m11......./s1.
What are the key properties of tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane?
tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane has a molecular weight of 2806.03 g/mol, XLogP of 34.44, 33 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindole-5-carbonyl]piperidin-1-yl]acetate;tert-butyl 2-[4-[1-[(1R)-1-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-fluoro-1-methoxy-3-oxoisoindol-5-yl]-1-hydroxypropyl]piperidin-1-yl]acetate;2-(4-chlorobenzoyl)-5-(cyclohexanecarbonyl)-3-fluorobenzoic acid;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-6-(cyclohexanecarbonyl)-4-fluoro-3-hydroxyisoindol-1-one;3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-4-fluoro-3-methoxy-6-(piperidine-4-carbonyl)isoindol-1-one;methane is sourced from PubChem (CID 159621895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).