(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one

C19H22N2O3S — CID 24755241

IUPAC(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one
SMILESCOc1ccc(CS[C@@H]2C(c3ccccc3)NC(=O)N[C@]2(C)O)cc1
InChIInChI=1S/C19H22N2O3S/c1-19(23)17(25-12-13-8-10-15(24-2)11-9-13)16(20-18(22)21-19)14-6-4-3-5-7-14/h3-11,16-17,23H,12H2,1-2H3,(H2,20,21,22)/t16?,17-,19-/m1/s1
InChIKeyXQVLBKXXLLFHQG-DOGRWBMSSA-N
MW358.46 g/mol
LogP3.06
Rot. Bonds5

About (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one

(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one (PubChem CID 24755241) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one
PubChem CID24755241
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one
SMILESCOc1ccc(CS[C@@H]2C(c3ccccc3)NC(=O)N[C@]2(C)O)cc1
InChIInChI=1S/C19H22N2O3S/c1-19(23)17(25-12-13-8-10-15(24-2)11-9-13)16(20-18(22)21-19)14-6-4-3-5-7-14/h3-11,16-17,23H,12H2,1-2H3,(H2,20,21,22)/t16?,17-,19-/m1/s1
InChIKeyXQVLBKXXLLFHQG-DOGRWBMSSA-N
XLogP3.06
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one with MolForge

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Related Compounds

(4R,5R,6S)-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one
CID 24755297
(4S,5S,6S)-5-benzoyl-4-hydroxy-6-(4-methoxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 7112495
ethyl (4E,5R,6S)-4-(benzylsulfanylmethylidene)-6-(4-methoxyphenyl)-2-oxo-1,3-diazinane-5-carboxylate
CID 2238194
5-[(4-methoxyphenyl)methylsulfanyl]-1,3-diazinan-2-one
CID 13332723
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
(2S,3S,5R,6R)-4-benzyl-2,6-bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-ol
CID 7112352
(2R,3R,5S,6S)-2,6-bis(4-methoxyphenyl)-3,5-diphenylpiperidin-4-one
CID 40806325
methyl 4-(4-methoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate
CID 4574997
(4-methoxyphenyl)methyl-phenyliodanium
CID 22385450
4-[(4-methoxyphenyl)methylsulfanyl]pyrazolidine
CID 10242740
(4R,5R,6R)-4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 51447691
4-hydroxy-5-(4-methoxybenzoyl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 5133068

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one?
The IUPAC name of (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one (CID 24755241) is (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one.
What is the SMILES notation for (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one?
The canonical SMILES for (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one is COc1ccc(CS[C@@H]2C(c3ccccc3)NC(=O)N[C@]2(C)O)cc1.
What is the InChIKey of (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one?
The InChIKey is XQVLBKXXLLFHQG-DOGRWBMSSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(23)17(25-12-13-8-10-15(24-2)11-9-13)16(20-18(22)21-19)14-6-4-3-5-7-14/h3-11,16-17,23H,12H2,1-2H3,(H2,20,21,22)/t16?,17-,19-/m1/s1.
What are the key properties of (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one?
(4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one has a molecular weight of 358.46 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-4-hydroxy-5-[(4-methoxyphenyl)methylsulfanyl]-4-methyl-6-phenyl-1,3-diazinan-2-one is sourced from PubChem (CID 24755241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).