2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)

C98H107F12N25O21 — CID 157398179

IUPAC2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cccc(C(=O)OC)c1)c(=O)n2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C23H26N6O4.C22H25N7O3.C22H26N6O2.4C2HF3O2/c1-4-5-12-28-18-19(25-22(28)27-13-10-24-11-14-27)26(2)23(32)29(20(18)30)15-16-6-8-17(9-7-16)21(31)33-3;1-4-5-11-28-18-19(25-22(28)27-12-9-24-10-13-27)26(2)23(32)29(20(18)30)15-16-7-6-8-17(14-16)21(31)33-3;1-3-4-12-28-18-19(25-21(28)27-13-10-23-11-14-27)26(2)22(32)29(20(18)31)15-17(30)24-16-8-6-5-7-9-16;1-3-4-13-27-18-19(24-21(27)26-15-11-23-12-16-26)25(2)22(30)28(20(18)29)14-10-17-8-6-5-7-9-17;4*3-2(4,5)1(6)7/h6-9,24H,10-15H2,1-3H3;6-8,14,24H,9-13,15H2,1-3H3;5-9,23H,10-15H2,1-2H3,(H,24,30);5-9,23H,10-16H2,1-2H3;4*(H,6,7)
InChIKeyYXGXTRQDHUGREK-UHFFFAOYSA-N
MW2199.06 g/mol
LogP3.40
Rot. Bonds20

About 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)

2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 157398179) has the molecular formula C98H107F12N25O21 and a molecular weight of 2199.06 g/mol. Its IUPAC name is 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID157398179
Molecular FormulaC98H107F12N25O21
Molecular Weight2199.06 g/mol
Exact Mass2197.79
IUPAC Name2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)
SMILESCC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cccc(C(=O)OC)c1)c(=O)n2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/2C23H26N6O4.C22H25N7O3.C22H26N6O2.4C2HF3O2/c1-4-5-12-28-18-19(25-22(28)27-13-10-24-11-14-27)26(2)23(32)29(20(18)30)15-16-6-8-17(9-7-16)21(31)33-3;1-4-5-11-28-18-19(25-22(28)27-12-9-24-10-13-27)26(2)23(32)29(20(18)30)15-16-7-6-8-17(14-16)21(31)33-3;1-3-4-12-28-18-19(25-21(28)27-13-10-23-11-14-27)26(2)22(32)29(20(18)31)15-17(30)24-16-8-6-5-7-9-16;1-3-4-13-27-18-19(24-21(27)26-15-11-23-12-16-26)25(2)22(30)28(20(18)29)14-10-17-8-6-5-7-9-17;4*3-2(4,5)1(6)7/h6-9,24H,10-15H2,1-3H3;6-8,14,24H,9-13,15H2,1-3H3;5-9,23H,10-15H2,1-2H3,(H,24,30);5-9,23H,10-16H2,1-2H3;4*(H,6,7)
InChIKeyYXGXTRQDHUGREK-UHFFFAOYSA-N
XLogP3.40
TPSA539.26 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002199.06
LogP ≤ 53.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

2-[(3-But-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;3-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;4-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;3-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoic acid;tetrakis(2,2,2-trifluoroacetic acid)
CID 157889965
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide;N-(1,1-difluoroethyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-ethyl-N-(4-methylphenyl)acetamide;methyl 3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]benzoate
CID 158026410
3-But-2-ynyl-5-[(2-nitrophenyl)methyl]-2-piperidin-1-ylimidazo[4,5-d]pyridazin-4-one;3-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile;4-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile;methyl 3-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoate;methyl 4-[(3-but-2-ynyl-4-oxo-2-piperidin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoate;pentakis(2,2,2-trifluoroacetic acid)
CID 159472509
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperidin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperidin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperidin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 159697524
2-[(3-But-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;4-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzamide;3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoic acid;tetrakis(2,2,2-trifluoroacetic acid)
CID 159933702
7-But-2-ynyl-3-cyclobutyl-1-methyl-8-piperazin-1-ylpurine-2,6-dione;2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)acetamide;7-but-2-ynyl-1-methyl-3-(oxolan-2-ylmethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 160094570
3-But-2-ynyl-5-[(2-nitrophenyl)methyl]-2-piperazin-1-ylimidazo[4,5-d]pyridazin-4-one;3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile;4-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzonitrile;methyl 3-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoate;methyl 4-[(3-but-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)methyl]benzoate;pentakis(2,2,2-trifluoroacetic acid)
CID 160445008
N-[4-(3,3-difluorobutan-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(3,3-difluorobut-1-en-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;N-[4-(3,3-difluoro-2-methoxybutan-2-yl)phenyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide;2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2,3,3-trifluorobutan-2-yl)phenyl]acetamide;molecular hydrogen
CID 161223476
2-butan-2-yloxy-7-but-2-ynyl-1-methyl-8-piperazin-1-ylpurin-6-one;tert-butyl 4-(7-but-2-ynyl-1-methyl-2,6-dioxo-3H-purin-8-yl)piperazine-1-carboxylate;7-but-2-ynyl-2-cyclohexyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;7-but-2-ynyl-2-cyclopentyloxy-1-methyl-8-piperazin-1-ylpurin-6-one;methyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxy-2-phenylacetate;tetrakis(2,2,2-trifluoroacetic acid)
CID 161252227
N-tert-butyl-2-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)amino]benzamide;2-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)amino]benzamide;N-[3-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxyphenyl]acetamide;N-[4-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxyphenyl]acetamide;tetrakis(2,2,2-trifluoroacetic acid)
CID 162133817
1,3-Dimethyl-7-[(2-phenylphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione;methyl 4-[1-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)ethyl]benzoate
CID 69958891
1,3-Dimethyl-7-[(2-phenylphenyl)methyl]-8-piperazin-1-ylpurine-2,6-dione;methyl 4-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]benzoate
CID 69958893

Frequently Asked Questions

What is the IUPAC name of 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) (CID 157398179) is 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) is CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CC(=O)Nc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2C.CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cccc(C(=O)OC)c1)c(=O)n2C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is YXGXTRQDHUGREK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H26N6O4.C22H25N7O3.C22H26N6O2.4C2HF3O2/c1-4-5-12-28-18-19(25-22(28)27-13-10-24-11-14-27)26(2)23(32)29(20(18)30)15-16-6-8-17(9-7-16)21(31)33-3;1-4-5-11-28-18-19(25-22(28)27-12-9-24-10-13-27)26(2)23(32)29(20(18)30)15-16-7-6-8-17(14-16)21(31)33-3;1-3-4-12-28-18-19(25-21(28)27-13-10-23-11-14-27)26(2)22(32)29(20(18)31)15-17(30)24-16-8-6-5-7-9-16;1-3-4-13-27-18-19(24-21(27)26-15-11-23-12-16-26)25(2)22(30)28(20(18)29)14-10-17-8-6-5-7-9-17;4*3-2(4,5)1(6)7/h6-9,24H,10-15H2,1-3H3;6-8,14,24H,9-13,15H2,1-3H3;5-9,23H,10-15H2,1-2H3,(H,24,30);5-9,23H,10-16H2,1-2H3;4*(H,6,7).
What are the key properties of 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid)?
2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2199.06 g/mol, XLogP of 3.40, 20 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)-N-phenylacetamide;7-but-2-ynyl-3-methyl-1-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione;methyl 3-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;methyl 4-[(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)methyl]benzoate;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157398179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).