(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one

C137H167Cl10N7O9 — CID 123714969

About (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one

(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one (PubChem CID 123714969) has the molecular formula C137H167Cl10N7O9 and a molecular weight of 2410.41 g/mol. Its IUPAC name is (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one.

Molecular Properties

• Compound Name: (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one
• PubChem CID: 123714969
• Molecular Formula: C137H167Cl10N7O9
• Molecular Weight: 2410.41 g/mol
• Exact Mass: 2403.97
• IUPAC Name: (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one
• SMILES: CCC(C)(CC)COc1ccc([C@@H]2CC[C@@]3(CC)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CC[C@@]12CC[C@@H](c3ccc(OCC(C)(C)C)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](C)NC2=O.CC[C@@]12CC[C@@H](c3ccc(OCC(C)O)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](C)NC2=O.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(N4CCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(N4CCCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12
• InChI: InChI=1S/C30H39Cl2NO2.C28H35Cl2NO2.C27H32Cl2N2O.C26H30Cl2N2O.C26H31Cl2NO3/c1-6-29(5,7-2)18-35-22-13-14-23(25(32)17-22)24-15-16-30(8-3)27(19(4)33-28(30)34)26(24)20-9-11-21(31)12-10-20;1-6-28-14-13-22(21-12-11-20(15-23(21)30)33-16-27(3,4)5)24(18-7-9-19(29)10-8-18)25(28)17(2)31-26(28)32;1-17-25-24(18-6-8-19(28)9-7-18)22(12-13-27(25,2)26(32)30-17)21-11-10-20(16-23(21)29)31-14-4-3-5-15-31;1-16-24-23(17-5-7-18(27)8-6-17)21(11-12-26(24,2)25(31)29-16)20-10-9-19(15-22(20)28)30-13-3-4-14-30;1-4-26-12-11-21(20-10-9-19(13-22(20)28)32-14-15(2)30)23(17-5-7-18(27)8-6-17)24(26)16(3)29-25(26)31/h9-14,17,19,24,26-27H,6-8,15-16,18H2,1-5H3,(H,33,34);7-12,15,17,22,24-25H,6,13-14,16H2,1-5H3,(H,31,32);6-11,16-17,22,24-25H,3-5,12-15H2,1-2H3,(H,30,32);5-10,15-16,21,23-24H,3-4,11-14H2,1-2H3,(H,29,31);5-10,13,15-16,21,23-24,30H,4,11-12,14H2,1-3H3,(H,29,31)/t19-,24+,26+,27+,30-;17-,22+,24+,25+,28-;17-,22+,24+,25+,27-;16-,21+,23+,24+,26-;15?,16-,21+,23+,24+,26-/m11111/s1
• InChIKey: IKIRICXESREALL-UMXSXDHVSA-N
• XLogP: 35.13
• TPSA: 199.90 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2410.41
LogP ≤ 5	35.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one?

The IUPAC name of (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one (CID 123714969) is (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one.

What is the SMILES notation for (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one?

The canonical SMILES for (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one is CCC(C)(CC)COc1ccc([C@@H]2CC[C@@]3(CC)C(=O)N[C@H](C)[C@H]3[C@H]2c2ccc(Cl)cc2)c(Cl)c1.CC[C@@]12CC[C@@H](c3ccc(OCC(C)(C)C)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](C)NC2=O.CC[C@@]12CC[C@@H](c3ccc(OCC(C)O)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@@H]1[C@@H](C)NC2=O.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(N4CCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.C[C@H]1NC(=O)[C@]2(C)CC[C@@H](c3ccc(N4CCCCC4)cc3Cl)[C@H](c3ccc(Cl)cc3)[C@H]12.

What is the InChIKey of (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one?

The InChIKey is IKIRICXESREALL-UMXSXDHVSA-N. The full InChI is InChI=1S/C30H39Cl2NO2.C28H35Cl2NO2.C27H32Cl2N2O.C26H30Cl2N2O.C26H31Cl2NO3/c1-6-29(5,7-2)18-35-22-13-14-23(25(32)17-22)24-15-16-30(8-3)27(19(4)33-28(30)34)26(24)20-9-11-21(31)12-10-20;1-6-28-14-13-22(21-12-11-20(15-23(21)30)33-16-27(3,4)5)24(18-7-9-19(29)10-8-18)25(28)17(2)31-26(28)32;1-17-25-24(18-6-8-19(28)9-7-18)22(12-13-27(25,2)26(32)30-17)21-11-10-20(16-23(21)29)31-14-4-3-5-15-31;1-16-24-23(17-5-7-18(27)8-6-17)21(11-12-26(24,2)25(31)29-16)20-10-9-19(15-22(20)28)30-13-3-4-14-30;1-4-26-12-11-21(20-10-9-19(13-22(20)28)32-14-15(2)30)23(17-5-7-18(27)8-6-17)24(26)16(3)29-25(26)31/h9-14,17,19,24,26-27H,6-8,15-16,18H2,1-5H3,(H,33,34);7-12,15,17,22,24-25H,6,13-14,16H2,1-5H3,(H,31,32);6-11,16-17,22,24-25H,3-5,12-15H2,1-2H3,(H,30,32);5-10,15-16,21,23-24H,3-4,11-14H2,1-2H3,(H,29,31);5-10,13,15-16,21,23-24,30H,4,11-12,14H2,1-3H3,(H,29,31)/t19-,24+,26+,27+,30-;17-,22+,24+,25+,28-;17-,22+,24+,25+,27-;16-,21+,23+,24+,26-;15?,16-,21+,23+,24+,26-/m11111/s1.

What are the key properties of (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one?

(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one has a molecular weight of 2410.41 g/mol, XLogP of 35.13, 25 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2,2-dimethylpropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-ethyl-2-methylbutoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-5-[2-chloro-4-(2-hydroxypropoxy)phenyl]-4-(4-chlorophenyl)-7a-ethyl-3-methyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-piperidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one;(3R,3aS,4S,5R,7aR)-4-(4-chlorophenyl)-5-(2-chloro-4-pyrrolidin-1-ylphenyl)-3,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-isoindol-1-one is sourced from PubChem (CID 123714969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).