1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one

C137H129F22N13O14S6 — CID 157497728

IUPAC1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
SMILESCC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1C#N.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1F.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1OC(F)(F)F.Cc1cc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)ccc1OCC(C)(C)C.Cc1cc(-n2ccnc(Sc3ccc(OC(F)(F)F)cc3)c2=O)c(C)cc1OCC(C)(C)C
InChIInChI=1S/C24H25F3N2O3S.C23H20F6N2O3S.C23H20F3N3O2S.C23H23F3N2O2S.C22H20F4N2O2S.C22H21F3N2O2S/c1-15-13-20(31-14-23(3,4)5)16(2)12-19(15)29-11-10-28-21(22(29)30)33-18-8-6-17(7-9-18)32-24(25,26)27;1-21(2,3)13-33-17-9-6-15(12-18(17)34-23(27,28)29)31-11-10-30-19(20(31)32)35-16-7-4-14(5-8-16)22(24,25)26;1-22(2,3)14-31-19-9-6-17(12-15(19)13-27)29-11-10-28-20(21(29)30)32-18-7-4-16(5-8-18)23(24,25)26;1-15-13-17(7-10-19(15)30-14-22(2,3)4)28-12-11-27-20(21(28)29)31-18-8-5-16(6-9-18)23(24,25)26;1-21(2,3)13-30-18-9-6-15(12-17(18)23)28-11-10-27-19(20(28)29)31-16-7-4-14(5-8-16)22(24,25)26;1-21(2,3)14-29-17-8-6-16(7-9-17)27-13-12-26-19(20(27)28)30-18-10-4-15(5-11-18)22(23,24)25/h6-13H,14H2,1-5H3;4-12H,13H2,1-3H3;4-12H,14H2,1-3H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3
InChIKeyBYAKXEFWLVCMMC-UHFFFAOYSA-N
MW2791.97 g/mol
LogP36.68
Rot. Bonds32

About 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one

1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one (PubChem CID 157497728) has the molecular formula C137H129F22N13O14S6 and a molecular weight of 2791.97 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
PubChem CID157497728
Molecular FormulaC137H129F22N13O14S6
Molecular Weight2791.97 g/mol
Exact Mass2789.78
IUPAC Name1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
SMILESCC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1C#N.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1F.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1OC(F)(F)F.Cc1cc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)ccc1OCC(C)(C)C.Cc1cc(-n2ccnc(Sc3ccc(OC(F)(F)F)cc3)c2=O)c(C)cc1OCC(C)(C)C
InChIInChI=1S/C24H25F3N2O3S.C23H20F6N2O3S.C23H20F3N3O2S.C23H23F3N2O2S.C22H20F4N2O2S.C22H21F3N2O2S/c1-15-13-20(31-14-23(3,4)5)16(2)12-19(15)29-11-10-28-21(22(29)30)33-18-8-6-17(7-9-18)32-24(25,26)27;1-21(2,3)13-33-17-9-6-15(12-18(17)34-23(27,28)29)31-11-10-30-19(20(31)32)35-16-7-4-14(5-8-16)22(24,25)26;1-22(2,3)14-31-19-9-6-17(12-15(19)13-27)29-11-10-28-20(21(29)30)32-18-7-4-16(5-8-18)23(24,25)26;1-15-13-17(7-10-19(15)30-14-22(2,3)4)28-12-11-27-20(21(28)29)31-18-8-5-16(6-9-18)23(24,25)26;1-21(2,3)13-30-18-9-6-15(12-17(18)23)28-11-10-27-19(20(28)29)31-16-7-4-14(5-8-16)22(24,25)26;1-21(2,3)14-29-17-8-6-16(7-9-17)27-13-12-26-19(20(27)28)30-18-10-4-15(5-11-18)22(23,24)25/h6-13H,14H2,1-5H3;4-12H,13H2,1-3H3;4-12H,14H2,1-3H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3
InChIKeyBYAKXEFWLVCMMC-UHFFFAOYSA-N
XLogP36.68
TPSA306.97 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002791.97
LogP ≤ 536.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one with MolForge

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Related Compounds

1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one
CID 58092387
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
CID 58092421
1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]pyrazin-2-one
CID 25169071
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpyrazin-2-one
CID 143814747
1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[2-(4-fluorophenyl)ethylsulfanyl]pyrazin-2-one
CID 58092419
disodium;dibenzyl [3,3-difluoro-1-[[2-methoxy-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-1-yl]phenoxy]methyl]cyclobutyl] phosphate;[3,3-difluoro-1-[[2-methoxy-4-[2-oxo-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-1-yl]phenoxy]methyl]cyclobutyl] phosphate
CID 159064494
1-[2-(2-hydroxy-2-methylpropoxy)-3-methyl-1,2,3,4-tetrahydropyridin-5-yl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one
CID 143814809
1-[3-chloro-4-(2,2-dimethylpropoxy)phenyl]-3-[2-(4-chlorophenyl)ethoxy]pyrazin-2-one;3-[2-(4-chlorophenyl)ethoxy]-1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]pyrazin-2-one;3-[2-(4-chlorophenyl)ethoxy]-1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]pyrazin-2-one;3-[2-(4-chlorophenyl)ethoxy]-1-[4-(2,2-dimethylpropoxy)phenyl]pyrazin-2-one;1-[4-(2-cyclopropylpropoxy)-3-methoxyphenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one;1-[4-(2-cyclopropylpropoxy)-3-methylphenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-ethylphenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[2-(4-fluorophenyl)ethoxy]pyrazin-2-one
CID 159309663
2-(2,2-dimethylpropoxy)-5-(5-methylpyrazol-1-yl)benzonitrile
CID 141027563
4-[2-(3,4-difluorophenyl)ethynyl]-1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]pyridin-2-one
CID 58580275
3-[2-(4-fluorophenyl)ethoxy]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]pyrazin-2-one
CID 53236735
1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[3-(trifluoromethoxy)phenyl]pyridin-2-one
CID 58580203

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one?
The IUPAC name of 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one (CID 157497728) is 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one.
What is the SMILES notation for 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one?
The canonical SMILES for 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one is CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1C#N.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1F.CC(C)(C)COc1ccc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)cc1OC(F)(F)F.Cc1cc(-n2ccnc(Sc3ccc(C(F)(F)F)cc3)c2=O)ccc1OCC(C)(C)C.Cc1cc(-n2ccnc(Sc3ccc(OC(F)(F)F)cc3)c2=O)c(C)cc1OCC(C)(C)C.
What is the InChIKey of 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one?
The InChIKey is BYAKXEFWLVCMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O3S.C23H20F6N2O3S.C23H20F3N3O2S.C23H23F3N2O2S.C22H20F4N2O2S.C22H21F3N2O2S/c1-15-13-20(31-14-23(3,4)5)16(2)12-19(15)29-11-10-28-21(22(29)30)33-18-8-6-17(7-9-18)32-24(25,26)27;1-21(2,3)13-33-17-9-6-15(12-18(17)34-23(27,28)29)31-11-10-30-19(20(31)32)35-16-7-4-14(5-8-16)22(24,25)26;1-22(2,3)14-31-19-9-6-17(12-15(19)13-27)29-11-10-28-20(21(29)30)32-18-7-4-16(5-8-18)23(24,25)26;1-15-13-17(7-10-19(15)30-14-22(2,3)4)28-12-11-27-20(21(28)29)31-18-8-5-16(6-9-18)23(24,25)26;1-21(2,3)13-30-18-9-6-15(12-17(18)23)28-11-10-27-19(20(28)29)31-16-7-4-14(5-8-16)22(24,25)26;1-21(2,3)14-29-17-8-6-16(7-9-17)27-13-12-26-19(20(27)28)30-18-10-4-15(5-11-18)22(23,24)25/h6-13H,14H2,1-5H3;4-12H,13H2,1-3H3;4-12H,14H2,1-3H3;5-13H,14H2,1-4H3;4-12H,13H2,1-3H3;4-13H,14H2,1-3H3.
What are the key properties of 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one?
1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one has a molecular weight of 2791.97 g/mol, XLogP of 36.68, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropoxy)-2,5-dimethylphenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;2-(2,2-dimethylpropoxy)-5-[2-oxo-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-1-yl]benzonitrile;1-[4-(2,2-dimethylpropoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one;1-[4-(2,2-dimethylpropoxy)-3-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazin-2-one is sourced from PubChem (CID 157497728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).