bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)

C200H272N16O32 — CID 159630867

IUPACbis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)
SMILES[2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H]
InChIInChI=1S/8C25H34N2O4/c8*1-19-7-6-8-20(2)23(19)15-21(28)16-26-11-13-27(14-12-26)17-22(29)18-31-25-10-5-4-9-24(25)30-3/h8*4-10,22,29H,11-18H2,1-3H3/i2*1D3,2D3,6D,7D,8D,16D2,17D2,18D2;2*6D,7D,8D,16D2,17D2,18D2;2*1D3,2D3,16D2,17D2,18D2;2*16D2,17D2,18D2
InChIKeyMPCMKLWPNGSVTK-DBTVOKMESA-N
MW3496.97 g/mol
LogP19.85
Rot. Bonds88

About bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)

bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) (PubChem CID 159630867) has the molecular formula C200H272N16O32 and a molecular weight of 3496.97 g/mol. Its IUPAC name is bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one).

Molecular Properties

Compound Namebis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)
PubChem CID159630867
Molecular FormulaC200H272N16O32
Molecular Weight3496.97 g/mol
Exact Mass3494.54
IUPAC Namebis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)
SMILES[2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H]
InChIInChI=1S/8C25H34N2O4/c8*1-19-7-6-8-20(2)23(19)15-21(28)16-26-11-13-27(14-12-26)17-22(29)18-31-25-10-5-4-9-24(25)30-3/h8*4-10,22,29H,11-18H2,1-3H3/i2*1D3,2D3,6D,7D,8D,16D2,17D2,18D2;2*6D,7D,8D,16D2,17D2,18D2;2*1D3,2D3,16D2,17D2,18D2;2*16D2,17D2,18D2
InChIKeyMPCMKLWPNGSVTK-DBTVOKMESA-N
XLogP19.85
TPSA497.92 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds88
Heavy Atoms248
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003496.97
LogP ≤ 519.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Analyze bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) with MolForge

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Launch Full Analysis

Related Compounds

1,1-dideuterio-1-[4-[2-deuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one
CID 58326081
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one;1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 123533473
1-[2,6-bis(trideuteriomethyl)phenyl]-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58326088
N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 59864559
N-(2,6-dimethylphenyl)-2-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25161201
2,2-dideuterio-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]acetamide
CID 25160695
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
2-[4-[1,1-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25160759
2-[4-[3,3-dideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-N-(3,4,5-trideuterio-2,6-dimethylphenyl)acetamide
CID 25161205
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]propan-2-one
CID 58326063
N-[2,6-bis(trideuteriomethyl)phenyl]-2,2-dideuterio-2-[4-[2,3,3-trideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25157151
N-(3,4,5-trideuterio-2,6-dimethylphenyl)-2-[4-[2,3,3-trideuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25160499

Frequently Asked Questions

What is the IUPAC name of bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)?
The IUPAC name of bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) (CID 159630867) is bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one).
What is the SMILES notation for bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)?
The canonical SMILES for bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) is [2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])(Oc1ccccc1OC)C(O)C([2H])([2H])N1CCN(C([2H])([2H])C(=O)Cc2c(C)cccc2C)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]C([2H])([2H])c1cccc(C([2H])([2H])[2H])c1CC(=O)C([2H])([2H])N1CCN(C([2H])([2H])C(O)C([2H])([2H])Oc2ccccc2OC)CC1.[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C([2H])([2H])[2H])c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C([2H])([2H])[2H])c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H].[2H]c1c([2H])c(C)c(CC(=O)C([2H])([2H])N2CCN(C([2H])([2H])C(O)C([2H])([2H])Oc3ccccc3OC)CC2)c(C)c1[2H].
What is the InChIKey of bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)?
The InChIKey is MPCMKLWPNGSVTK-DBTVOKMESA-N. The full InChI is InChI=1S/8C25H34N2O4/c8*1-19-7-6-8-20(2)23(19)15-21(28)16-26-11-13-27(14-12-26)17-22(29)18-31-25-10-5-4-9-24(25)30-3/h8*4-10,22,29H,11-18H2,1-3H3/i2*1D3,2D3,6D,7D,8D,16D2,17D2,18D2;2*6D,7D,8D,16D2,17D2,18D2;2*1D3,2D3,16D2,17D2,18D2;2*16D2,17D2,18D2.
What are the key properties of bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one)?
bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) has a molecular weight of 3496.97 g/mol, XLogP of 19.85, 88 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2,6-bis(trideuteriomethyl)phenyl]-1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-3-(2,6-dimethylphenyl)-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]propan-2-one);bis(1,1-dideuterio-1-[4-[1,1,3,3-tetradeuterio-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-3-(3,4,5-trideuterio-2,6-dimethylphenyl)propan-2-one) is sourced from PubChem (CID 159630867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).