7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione

C114H99Cl6F13N20O19 — CID 158745167

IUPAC7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione
SMILESCOc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cc1c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cccc1C(C)(F)F.Cc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cn1c(=O)c2c(nc(Oc3cc(C(C)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(Oc3cccc(OC(C)(F)F)c3)n2Cc2cc(Cl)cc(Cl)c2)n(C)c1=O
InChIInChI=1S/C23H18ClF5N4O3.C23H21ClF2N4O5.C23H21ClF2N4O4.C23H21ClF2N4O3.C22H18Cl2F2N4O4/c1-22(25,26)13-8-14(23(27,28)29)10-16(9-13)36-20-30-18-17(19(34)32(3)21(35)31(18)2)33(20)11-12-4-6-15(24)7-5-12;1-23(25,26)35-15-7-5-6-14(11-15)34-21-27-19-18(20(31)29(3)22(32)28(19)2)30(21)12-13-8-9-16(24)17(10-13)33-4;1-13-10-14(8-9-17(13)24)12-30-18-19(28(3)22(32)29(4)20(18)31)27-21(30)33-15-6-5-7-16(11-15)34-23(2,25)26;1-13-16(23(2,25)26)6-5-7-17(13)33-21-27-19-18(20(31)29(4)22(32)28(19)3)30(21)12-14-8-10-15(24)11-9-14;1-22(25,26)34-16-6-4-5-15(10-16)33-20-27-18-17(19(31)29(3)21(32)28(18)2)30(20)11-12-7-13(23)9-14(24)8-12/h4-10H,11H2,1-3H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;4-10H,11H2,1-3H3
InChIKeyIMUIDWFFLVDGKA-UHFFFAOYSA-N
MW2512.86 g/mol
LogP22.13
Rot. Bonds29

About 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione

7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione (PubChem CID 158745167) has the molecular formula C114H99Cl6F13N20O19 and a molecular weight of 2512.86 g/mol. Its IUPAC name is 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione
PubChem CID158745167
Molecular FormulaC114H99Cl6F13N20O19
Molecular Weight2512.86 g/mol
Exact Mass2508.53
IUPAC Name7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione
SMILESCOc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cc1c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cccc1C(C)(F)F.Cc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cn1c(=O)c2c(nc(Oc3cc(C(C)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(Oc3cccc(OC(C)(F)F)c3)n2Cc2cc(Cl)cc(Cl)c2)n(C)c1=O
InChIInChI=1S/C23H18ClF5N4O3.C23H21ClF2N4O5.C23H21ClF2N4O4.C23H21ClF2N4O3.C22H18Cl2F2N4O4/c1-22(25,26)13-8-14(23(27,28)29)10-16(9-13)36-20-30-18-17(19(34)32(3)21(35)31(18)2)33(20)11-12-4-6-15(24)7-5-12;1-23(25,26)35-15-7-5-6-14(11-15)34-21-27-19-18(20(31)29(3)22(32)28(19)2)30(21)12-13-8-9-16(24)17(10-13)33-4;1-13-10-14(8-9-17(13)24)12-30-18-19(28(3)22(32)29(4)20(18)31)27-21(30)33-15-6-5-7-16(11-15)34-23(2,25)26;1-13-16(23(2,25)26)6-5-7-17(13)33-21-27-19-18(20(31)29(4)22(32)28(19)3)30(21)12-14-8-10-15(24)11-9-14;1-22(25,26)34-16-6-4-5-15(10-16)33-20-27-18-17(19(31)29(3)21(32)28(18)2)30(20)11-12-7-13(23)9-14(24)8-12/h4-10H,11H2,1-3H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;4-10H,11H2,1-3H3
InChIKeyIMUIDWFFLVDGKA-UHFFFAOYSA-N
XLogP22.13
TPSA392.17 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002512.86
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-[(4-Chlorophenyl)methyl]-3-ethyl-1-(3-hydroxypropyl)-8-(3-methylphenoxy)purine-2,6-dione;7-[(4-chlorophenyl)methyl]-1-(4-hydroxybutyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione;7-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)-3-methyl-8-(3-methylphenoxy)purine-2,6-dione;bis(7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(3-methylphenoxy)purine-2,6-dione)
CID 157589101
7-[1-(4-Chlorophenyl)ethyl]-8-[3-(1,1-difluoroethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[[3-(1,1-difluoroethoxy)phenyl]methoxy]-1,3-dimethylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-7-[[4-[(dimethylamino)methyl]phenyl]methyl]-1,3-dimethylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-(naphthalen-2-ylmethyl)purine-2,6-dione;7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-8-(4-pyridin-2-ylphenoxy)purine-2,6-dione
CID 158032762
8-[3-Chloro-5-(1,1-difluoroethoxy)phenoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione;8-[4-chloro-3-(1,1-difluoroethyl)phenoxy]-7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-fluorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-4-fluorophenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-4-methylphenoxy]-1,3-dimethylpurine-2,6-dione
CID 158428552
8-(2-Chloro-3-methylphenoxy)-7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-8-[2-(1,1-difluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-8-(4-ethylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-8-[3-(1-fluoroethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(2-methylphenoxy)purine-2,6-dione;7-[(5-chloro-2-pyridinyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-(4-propan-2-ylphenoxy)purine-2,6-dione
CID 160085415
7-Benzyl-8-(2-chloro-3-methylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-[(2-chloro-3-methylphenyl)methyl]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;7-benzyl-8-(4-ethylphenoxy)-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione;bis(7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-(2-methylphenoxy)purine-2,6-dione);7-benzyl-1-(3-hydroxypropyl)-3-methyl-8-[2-(trifluoromethoxy)phenoxy]purine-2,6-dione
CID 160161056
7-[2-(4-Chlorophenyl)ethyl]-8-[3-(1,1-difluoroethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-[3-(piperidin-1-ylmethyl)phenoxy]purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione;8-[3-(1,1-difluoroethyl)phenoxy]-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione
CID 160404922
7-[(4-Chlorophenyl)methyl]-8-[2-chloro-5-(piperidin-1-ylmethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[4-chloro-3-(piperidin-1-ylmethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-(cyclopentylmethoxy)-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[2-[3-(1,1-difluoroethoxy)phenoxy]ethoxy]-1,3-dimethylpurine-2,6-dione;bis(7-[(4-chlorophenyl)methyl]-8-hexoxy-1,3-dimethylpurine-2,6-dione)
CID 161517530
3-[7-[(3-bromophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]-2-methyl-N-pentan-3-ylpropanamide;7-[(3-chlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-[(dimethylamino)methyl]phenoxy]-1,3-dimethylpurine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione;8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethyl-7-[[3-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione
CID 161981748
8-(4-Tert-butylphenoxy)-7-[2-(4-chlorophenyl)ethyl]-1,3-dimethylpurine-2,6-dione;8-[4-chloro-3-(1,1-difluoroethyl)phenoxy]-7-[2-(4-chlorophenyl)ethyl]-1,3-dimethylpurine-2,6-dione;7-[2-(4-chlorophenyl)ethyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[2-(4-chlorophenyl)ethyl]-1,3-dimethyl-8-[3-(morpholin-4-ylmethyl)phenoxy]purine-2,6-dione
CID 162260972

Frequently Asked Questions

What is the IUPAC name of 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione (CID 158745167) is 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione is COc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cc1c(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)cccc1C(C)(F)F.Cc1cc(Cn2c(Oc3cccc(OC(C)(F)F)c3)nc3c2c(=O)n(C)c(=O)n3C)ccc1Cl.Cn1c(=O)c2c(nc(Oc3cc(C(C)(F)F)cc(C(F)(F)F)c3)n2Cc2ccc(Cl)cc2)n(C)c1=O.Cn1c(=O)c2c(nc(Oc3cccc(OC(C)(F)F)c3)n2Cc2cc(Cl)cc(Cl)c2)n(C)c1=O.
What is the InChIKey of 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione?
The InChIKey is IMUIDWFFLVDGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF5N4O3.C23H21ClF2N4O5.C23H21ClF2N4O4.C23H21ClF2N4O3.C22H18Cl2F2N4O4/c1-22(25,26)13-8-14(23(27,28)29)10-16(9-13)36-20-30-18-17(19(34)32(3)21(35)31(18)2)33(20)11-12-4-6-15(24)7-5-12;1-23(25,26)35-15-7-5-6-14(11-15)34-21-27-19-18(20(31)29(3)22(32)28(19)2)30(21)12-13-8-9-16(24)17(10-13)33-4;1-13-10-14(8-9-17(13)24)12-30-18-19(28(3)22(32)29(4)20(18)31)27-21(30)33-15-6-5-7-16(11-15)34-23(2,25)26;1-13-16(23(2,25)26)6-5-7-17(13)33-21-27-19-18(20(31)29(4)22(32)28(19)3)30(21)12-14-8-10-15(24)11-9-14;1-22(25,26)34-16-6-4-5-15(10-16)33-20-27-18-17(19(31)29(3)21(32)28(18)2)30(20)11-12-7-13(23)9-14(24)8-12/h4-10H,11H2,1-3H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;5-11H,12H2,1-4H3;4-10H,11H2,1-3H3.
What are the key properties of 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione?
7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione has a molecular weight of 2512.86 g/mol, XLogP of 22.13, 29 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-chloro-3-methoxyphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chloro-3-methylphenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-2-methylphenoxy]-1,3-dimethylpurine-2,6-dione;7-[(4-chlorophenyl)methyl]-8-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenoxy]-1,3-dimethylpurine-2,6-dione;7-[(3,5-dichlorophenyl)methyl]-8-[3-(1,1-difluoroethoxy)phenoxy]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 158745167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).