7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione

C149H155F4N25O22S — CID 158784846

IUPAC7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione
SMILESCC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CC(C)c1ccccc1-c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccccc1.CC(F)Oc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CN(C)S(=O)(=O)c1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(-c3ccccc3)c1)n2Cc1ccccc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1OC(F)(F)F)n2Cc1ccccc1
InChIInChI=1S/C28H26N4O3.2C25H28N4O3.C24H25FN4O4.C24H27N5O5S.C23H21F3N4O4/c1-30-26-24(27(34)31(28(30)35)16-9-17-33)32(19-20-10-4-2-5-11-20)25(29-26)23-15-8-14-22(18-23)21-12-6-3-7-13-21;1-17(2)19-11-7-12-20(15-19)22-26-23-21(29(22)16-18-9-5-4-6-10-18)24(31)28(13-8-14-30)25(32)27(23)3;1-17(2)19-12-7-8-13-20(19)22-26-23-21(29(22)16-18-10-5-4-6-11-18)24(31)28(14-9-15-30)25(32)27(23)3;1-16(25)33-19-11-6-10-18(14-19)21-26-22-20(29(21)15-17-8-4-3-5-9-17)23(31)28(12-7-13-30)24(32)27(22)2;1-26(2)35(33,34)19-12-10-18(11-13-19)21-25-22-20(29(21)16-17-8-5-4-6-9-17)23(31)28(14-7-15-30)24(32)27(22)3;1-28-20-18(21(32)29(22(28)33)12-7-13-31)30(14-15-8-3-2-4-9-15)19(27-20)16-10-5-6-11-17(16)34-23(24,25)26/h2-8,10-15,18,33H,9,16-17,19H2,1H3;4-7,9-12,15,17,30H,8,13-14,16H2,1-3H3;4-8,10-13,17,30H,9,14-16H2,1-3H3;3-6,8-11,14,16,30H,7,12-13,15H2,1-2H3;4-6,8-13,30H,7,14-16H2,1-3H3;2-6,8-11,31H,7,12-14H2,1H3
InChIKeyIRNWAQSCIQFIRG-UHFFFAOYSA-N
MW2756.09 g/mol
LogP16.72
Rot. Bonds44

About 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione

7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione (PubChem CID 158784846) has the molecular formula C149H155F4N25O22S and a molecular weight of 2756.09 g/mol. Its IUPAC name is 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione.

Molecular Properties

Compound Name7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione
PubChem CID158784846
Molecular FormulaC149H155F4N25O22S
Molecular Weight2756.09 g/mol
Exact Mass2754.14
IUPAC Name7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione
SMILESCC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CC(C)c1ccccc1-c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccccc1.CC(F)Oc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CN(C)S(=O)(=O)c1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(-c3ccccc3)c1)n2Cc1ccccc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1OC(F)(F)F)n2Cc1ccccc1
InChIInChI=1S/C28H26N4O3.2C25H28N4O3.C24H25FN4O4.C24H27N5O5S.C23H21F3N4O4/c1-30-26-24(27(34)31(28(30)35)16-9-17-33)32(19-20-10-4-2-5-11-20)25(29-26)23-15-8-14-22(18-23)21-12-6-3-7-13-21;1-17(2)19-11-7-12-20(15-19)22-26-23-21(29(22)16-18-9-5-4-6-10-18)24(31)28(13-8-14-30)25(32)27(23)3;1-17(2)19-12-7-8-13-20(19)22-26-23-21(29(22)16-18-10-5-4-6-11-18)24(31)28(14-9-15-30)25(32)27(23)3;1-16(25)33-19-11-6-10-18(14-19)21-26-22-20(29(21)15-17-8-4-3-5-9-17)23(31)28(12-7-13-30)24(32)27(22)2;1-26(2)35(33,34)19-12-10-18(11-13-19)21-25-22-20(29(21)16-17-8-5-4-6-9-17)23(31)28(14-7-15-30)24(32)27(22)3;1-28-20-18(21(32)29(22(28)33)12-7-13-31)30(14-15-8-3-2-4-9-15)19(27-20)16-10-5-6-11-17(16)34-23(24,25)26/h2-8,10-15,18,33H,9,16-17,19H2,1H3;4-7,9-12,15,17,30H,8,13-14,16H2,1-3H3;4-8,10-13,17,30H,9,14-16H2,1-3H3;3-6,8-11,14,16,30H,7,12-13,15H2,1-2H3;4-6,8-13,30H,7,14-16H2,1-3H3;2-6,8-11,31H,7,12-14H2,1H3
InChIKeyIRNWAQSCIQFIRG-UHFFFAOYSA-N
XLogP16.72
TPSA548.14 Ų
H-Bond Donors6
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002756.09
LogP ≤ 516.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1046

Analyze 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione with MolForge

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Related Compounds

8-Butoxy-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;8-[3-(1,1-difluoroethyl)phenyl]-1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)purine-2,6-dione;bis(1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenoxy)purine-2,6-dione);1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(3-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-(3-methylbutyl)-8-(2-propan-2-ylphenyl)purine-2,6-dione
CID 157575748
8-[3-(1,1-Difluoroethyl)phenyl]-7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;8-(2-fluorophenyl)-1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]purine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-8-(4-methoxyphenyl)-3-methylpurine-2,6-dione;7-[(4-fluorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenyl)purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-8-(4-methylphenoxy)-7-[(4-methylphenyl)methyl]purine-2,6-dione;1-(3-hydroxypropyl)-3-methyl-7-[(4-methylphenyl)methyl]-8-[2-(trifluoromethyl)phenyl]purine-2,6-dione
CID 157945353
7-Benzyl-8-[3-(1,1-difluoroethyl)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;bis(7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[4-methyl-3-(trifluoromethyl)phenoxy]purine-2,6-dione);7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione;7-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-propylsulfonylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[4-methyl-3-(trifluoromethyl)phenoxy]purine-2,6-dione
CID 160730369
7-Benzyl-8-[4-(1,1-difluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-[2-(1,1-difluoroethyl)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-[4-(1,1-difluoroethyl)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(2-fluoro-3-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(3-fluoro-5-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(4-fluoro-3-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione
CID 161504663

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione?
The IUPAC name of 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione (CID 158784846) is 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione.
What is the SMILES notation for 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione?
The canonical SMILES for 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione is CC(C)c1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CC(C)c1ccccc1-c1nc2c(c(=O)n(CCCO)c(=O)n2C)n1Cc1ccccc1.CC(F)Oc1cccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)c1.CN(C)S(=O)(=O)c1ccc(-c2nc3c(c(=O)n(CCCO)c(=O)n3C)n2Cc2ccccc2)cc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1cccc(-c3ccccc3)c1)n2Cc1ccccc1.Cn1c(=O)n(CCCO)c(=O)c2c1nc(-c1ccccc1OC(F)(F)F)n2Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione?
The InChIKey is IRNWAQSCIQFIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O3.2C25H28N4O3.C24H25FN4O4.C24H27N5O5S.C23H21F3N4O4/c1-30-26-24(27(34)31(28(30)35)16-9-17-33)32(19-20-10-4-2-5-11-20)25(29-26)23-15-8-14-22(18-23)21-12-6-3-7-13-21;1-17(2)19-11-7-12-20(15-19)22-26-23-21(29(22)16-18-9-5-4-6-10-18)24(31)28(13-8-14-30)25(32)27(23)3;1-17(2)19-12-7-8-13-20(19)22-26-23-21(29(22)16-18-10-5-4-6-11-18)24(31)28(14-9-15-30)25(32)27(23)3;1-16(25)33-19-11-6-10-18(14-19)21-26-22-20(29(21)15-17-8-4-3-5-9-17)23(31)28(12-7-13-30)24(32)27(22)2;1-26(2)35(33,34)19-12-10-18(11-13-19)21-25-22-20(29(21)16-17-8-5-4-6-9-17)23(31)28(14-7-15-30)24(32)27(22)3;1-28-20-18(21(32)29(22(28)33)12-7-13-31)30(14-15-8-3-2-4-9-15)19(27-20)16-10-5-6-11-17(16)34-23(24,25)26/h2-8,10-15,18,33H,9,16-17,19H2,1H3;4-7,9-12,15,17,30H,8,13-14,16H2,1-3H3;4-8,10-13,17,30H,9,14-16H2,1-3H3;3-6,8-11,14,16,30H,7,12-13,15H2,1-2H3;4-6,8-13,30H,7,14-16H2,1-3H3;2-6,8-11,31H,7,12-14H2,1H3.
What are the key properties of 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione?
7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione has a molecular weight of 2756.09 g/mol, XLogP of 16.72, 44 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-[3-(1-fluoroethoxy)phenyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;4-[7-benzyl-1-(3-hydroxypropyl)-3-methyl-2,6-dioxopurin-8-yl]-N,N-dimethylbenzenesulfonamide;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-phenylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(3-propan-2-ylphenyl)purine-2,6-dione;7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenyl]purine-2,6-dione is sourced from PubChem (CID 158784846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).