4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one

C162H177Cl5F2N14O21S7 — CID 161401803

IUPAC4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one
SMILESCOc1cc(-n2ccc(SCc3ccc(C)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3Cl)nc2=O)ccc1OCC(C)(C)C
InChIInChI=1S/C24H28N2O3S.C23H24Cl2N2O3S.C23H24ClFN2O3S.2C23H25ClN2O3S.C23H25FN2O3S.C23H26N2O3S/c1-17-6-8-18(9-7-17)15-30-22-12-13-26(23(27)25-22)19-10-11-20(21(14-19)28-5)29-16-24(2,3)4;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-17(24)18(25)11-15;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-18(25)17(24)11-15;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)15-29-19-10-9-17(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-7-5-6-8-18(16)24;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)16-28-19-11-10-18(14-20(19)27-4)25-13-12-21(24-22(25)26)29-15-17-8-6-5-7-9-17/h6-14H,15-16H2,1-5H3;2*5-12H,13-14H2,1-4H3;3*5-13H,14-15H2,1-4H3;5-14H,15-16H2,1-4H3
InChIKeyVUIHAOJWEWZBRE-UHFFFAOYSA-N
MW3096.00 g/mol
LogP38.56
Rot. Bonds49

About 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one

4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one (PubChem CID 161401803) has the molecular formula C162H177Cl5F2N14O21S7 and a molecular weight of 3096.00 g/mol. Its IUPAC name is 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one
PubChem CID161401803
Molecular FormulaC162H177Cl5F2N14O21S7
Molecular Weight3096.00 g/mol
Exact Mass3090.97
IUPAC Name4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one
SMILESCOc1cc(-n2ccc(SCc3ccc(C)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3Cl)nc2=O)ccc1OCC(C)(C)C
InChIInChI=1S/C24H28N2O3S.C23H24Cl2N2O3S.C23H24ClFN2O3S.2C23H25ClN2O3S.C23H25FN2O3S.C23H26N2O3S/c1-17-6-8-18(9-7-17)15-30-22-12-13-26(23(27)25-22)19-10-11-20(21(14-19)28-5)29-16-24(2,3)4;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-17(24)18(25)11-15;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-18(25)17(24)11-15;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)15-29-19-10-9-17(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-7-5-6-8-18(16)24;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)16-28-19-11-10-18(14-20(19)27-4)25-13-12-21(24-22(25)26)29-15-17-8-6-5-7-9-17/h6-14H,15-16H2,1-5H3;2*5-12H,13-14H2,1-4H3;3*5-13H,14-15H2,1-4H3;5-14H,15-16H2,1-4H3
InChIKeyVUIHAOJWEWZBRE-UHFFFAOYSA-N
XLogP38.56
TPSA373.45 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003096.00
LogP ≤ 538.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one with MolForge

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Related Compounds

4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926725
6-[(4-chlorophenyl)methylsulfanyl]-3-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-4-one
CID 58579931
4-[2-(4-chlorophenyl)ethynyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 58579919
4-(4-chlorophenyl)-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 70644767
4-[(4-chlorophenyl)methylamino]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyrimidin-2-one
CID 46926808
4-[(4-chlorophenyl)sulfanylmethyl]-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580291
1-chloro-4-methylbenzene;1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]-3-methylpyrazin-2-one
CID 143744929
2-[(3-chloro-4-fluorophenyl)methylsulfanyl]-5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazole
CID 46908742
1-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methylsulfanyl]pyrazin-2-one
CID 18579418
2-benzylsulfanyl-3-isocyano-6-methylpyridine;2-[(2-chlorophenyl)methylsulfanyl]-3-isocyano-6-methylpyridine;2-[(4-chlorophenyl)methylsulfanyl]-3-isocyano-6-methylpyridine;3-isocyano-2-[(4-methoxyphenyl)methylsulfanyl]-6-methylpyridine;bis(3-isocyano-6-methyl-2-[(4-methylphenyl)methylsulfanyl]pyridine);3-isocyano-6-methyl-2-[(3-nitrophenyl)methylsulfanyl]pyridine
CID 158765780
4-chloro-1-[4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl]pyridin-2-one
CID 58580294
3-[(2-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole
CID 3945539

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one?
The IUPAC name of 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one (CID 161401803) is 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one.
What is the SMILES notation for 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one?
The canonical SMILES for 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one is COc1cc(-n2ccc(SCc3ccc(C)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(Cl)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)c(Cl)c3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccc(F)cc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3)nc2=O)ccc1OCC(C)(C)C.COc1cc(-n2ccc(SCc3ccccc3Cl)nc2=O)ccc1OCC(C)(C)C.
What is the InChIKey of 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one?
The InChIKey is VUIHAOJWEWZBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S.C23H24Cl2N2O3S.C23H24ClFN2O3S.2C23H25ClN2O3S.C23H25FN2O3S.C23H26N2O3S/c1-17-6-8-18(9-7-17)15-30-22-12-13-26(23(27)25-22)19-10-11-20(21(14-19)28-5)29-16-24(2,3)4;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-17(24)18(25)11-15;1-23(2,3)14-30-19-8-6-16(12-20(19)29-4)27-10-9-21(26-22(27)28)31-13-15-5-7-18(25)17(24)11-15;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)15-29-19-10-9-17(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-7-5-6-8-18(16)24;1-23(2,3)15-29-19-10-9-18(13-20(19)28-4)26-12-11-21(25-22(26)27)30-14-16-5-7-17(24)8-6-16;1-23(2,3)16-28-19-11-10-18(14-20(19)27-4)25-13-12-21(24-22(25)26)29-15-17-8-6-5-7-9-17/h6-14H,15-16H2,1-5H3;2*5-12H,13-14H2,1-4H3;3*5-13H,14-15H2,1-4H3;5-14H,15-16H2,1-4H3.
What are the key properties of 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one?
4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one has a molecular weight of 3096.00 g/mol, XLogP of 38.56, 49 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(2-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(4-chlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;4-[(3,4-dichlorophenyl)methylsulfanyl]-1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-fluorophenyl)methylsulfanyl]pyrimidin-2-one;1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-4-[(4-methylphenyl)methylsulfanyl]pyrimidin-2-one is sourced from PubChem (CID 161401803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).