2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

C121H116F15N9O9S3 — CID 161173320

IUPAC2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILES[2H]C([2H])(COC)N1C([2H])([2H])C([2H])([2H])C([2H])(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C([2H])([2H])C1([2H])[2H].[2H]C([2H])(Sc1cc(=O)c2ccccc2n1CC(=O)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C([2H])([2H])COC)CC1)c1cccc(F)c1F.[2H]c1c([2H])c(F)c(F)c(CSc2c([2H])c(=O)c3c([2H])c([2H])c([2H])c([2H])c3n2CC(=O)N(Cc2c([2H])c([2H])c(-c3c([2H])c([2H])c(C(F)(F)F)c([2H])c3[2H])c([2H])c2C)C2([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])COC)C([2H])([2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C41H40F5N3O3S.2C40H38F5N3O3S/c1-27-22-29(28-12-14-32(15-13-28)41(44,45)46)10-11-30(27)24-48(33-16-18-47(19-17-33)20-21-52-2)38(51)25-49-36-9-4-3-7-34(36)37(50)23-39(49)53-26-31-6-5-8-35(42)40(31)43;2*1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h3-15,22-23,33H,16-21,24-26H2,1-2H3;2*2-16,23,32H,17-22,24-26H2,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D2,17D2,18D2,19D2,20D2,22D,23D,33D;17D2,18D2,19D2,20D2,21D2,32D;21D2,26D2
InChIKeyURMASJMRZRVNKU-UKKCTXPZSA-N
MW2262.73 g/mol
LogP25.50
Rot. Bonds36

About 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide

2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (PubChem CID 161173320) has the molecular formula C121H116F15N9O9S3 and a molecular weight of 2262.73 g/mol. Its IUPAC name is 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID161173320
Molecular FormulaC121H116F15N9O9S3
Molecular Weight2262.73 g/mol
Exact Mass2261.04
IUPAC Name2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
SMILES[2H]C([2H])(COC)N1C([2H])([2H])C([2H])([2H])C([2H])(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C([2H])([2H])C1([2H])[2H].[2H]C([2H])(Sc1cc(=O)c2ccccc2n1CC(=O)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C([2H])([2H])COC)CC1)c1cccc(F)c1F.[2H]c1c([2H])c(F)c(F)c(CSc2c([2H])c(=O)c3c([2H])c([2H])c([2H])c([2H])c3n2CC(=O)N(Cc2c([2H])c([2H])c(-c3c([2H])c([2H])c(C(F)(F)F)c([2H])c3[2H])c([2H])c2C)C2([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])COC)C([2H])([2H])C2([2H])[2H])c1[2H]
InChIInChI=1S/C41H40F5N3O3S.2C40H38F5N3O3S/c1-27-22-29(28-12-14-32(15-13-28)41(44,45)46)10-11-30(27)24-48(33-16-18-47(19-17-33)20-21-52-2)38(51)25-49-36-9-4-3-7-34(36)37(50)23-39(49)53-26-31-6-5-8-35(42)40(31)43;2*1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h3-15,22-23,33H,16-21,24-26H2,1-2H3;2*2-16,23,32H,17-22,24-26H2,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D2,17D2,18D2,19D2,20D2,22D,23D,33D;17D2,18D2,19D2,20D2,21D2,32D;21D2,26D2
InChIKeyURMASJMRZRVNKU-UKKCTXPZSA-N
XLogP25.50
TPSA164.34 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds36
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002262.73
LogP ≤ 525.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The IUPAC name of 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide (CID 161173320) is 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is [2H]C([2H])(COC)N1C([2H])([2H])C([2H])([2H])C([2H])(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(SCc3cccc(F)c3F)cc(=O)c3ccccc32)C([2H])([2H])C1([2H])[2H].[2H]C([2H])(Sc1cc(=O)c2ccccc2n1CC(=O)N(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C1CCN(C([2H])([2H])COC)CC1)c1cccc(F)c1F.[2H]c1c([2H])c(F)c(F)c(CSc2c([2H])c(=O)c3c([2H])c([2H])c([2H])c([2H])c3n2CC(=O)N(Cc2c([2H])c([2H])c(-c3c([2H])c([2H])c(C(F)(F)F)c([2H])c3[2H])c([2H])c2C)C2([2H])C([2H])([2H])C([2H])([2H])N(C([2H])([2H])COC)C([2H])([2H])C2([2H])[2H])c1[2H].
What is the InChIKey of 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
The InChIKey is URMASJMRZRVNKU-UKKCTXPZSA-N. The full InChI is InChI=1S/C41H40F5N3O3S.2C40H38F5N3O3S/c1-27-22-29(28-12-14-32(15-13-28)41(44,45)46)10-11-30(27)24-48(33-16-18-47(19-17-33)20-21-52-2)38(51)25-49-36-9-4-3-7-34(36)37(50)23-39(49)53-26-31-6-5-8-35(42)40(31)43;2*1-51-22-21-46-19-17-32(18-20-46)47(24-27-9-11-28(12-10-27)29-13-15-31(16-14-29)40(43,44)45)37(50)25-48-35-8-3-2-6-33(35)36(49)23-38(48)52-26-30-5-4-7-34(41)39(30)42/h3-15,22-23,33H,16-21,24-26H2,1-2H3;2*2-16,23,32H,17-22,24-26H2,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D2,17D2,18D2,19D2,20D2,22D,23D,33D;17D2,18D2,19D2,20D2,21D2,32D;21D2,26D2.
What are the key properties of 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide?
2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide has a molecular weight of 2262.73 g/mol, XLogP of 25.50, 36 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[dideuterio-(2,3-difluorophenyl)methyl]sulfanyl-4-oxoquinolin-1-yl]-N-[1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;N-[2,2,3,3,4,5,5,6,6-nonadeuterio-1-(1,1-dideuterio-2-methoxyethyl)piperidin-4-yl]-2-[3,5,6,7,8-pentadeuterio-4-oxo-2-[(2,3,4-trideuterio-5,6-difluorophenyl)methylsulfanyl]quinolin-1-yl]-N-[[2,3,5-trideuterio-6-methyl-4-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide is sourced from PubChem (CID 161173320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).