(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol

C18H19NOSe — CID 139069349

IUPAC(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@@](C)(O)C[C@H](c3ccccc3)[Se]2)cc1
InChIInChI=1S/C18H19NOSe/c1-13-8-10-15(11-9-13)17-19-18(2,20)12-16(21-17)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3/t16-,18+/m1/s1
InChIKeyXCOINRUMKUWMLL-AEFFLSMTSA-N
MW344.32 g/mol
LogP3.30
Rot. Bonds2

About (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol

(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol (PubChem CID 139069349) has the molecular formula C18H19NOSe and a molecular weight of 344.32 g/mol. Its IUPAC name is (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol.

Molecular Properties

Compound Name(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
PubChem CID139069349
Molecular FormulaC18H19NOSe
Molecular Weight344.32 g/mol
Exact Mass345.06
IUPAC Name(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol
SMILESCc1ccc(C2=N[C@@](C)(O)C[C@H](c3ccccc3)[Se]2)cc1
InChIInChI=1S/C18H19NOSe/c1-13-8-10-15(11-9-13)17-19-18(2,20)12-16(21-17)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3/t16-,18+/m1/s1
InChIKeyXCOINRUMKUWMLL-AEFFLSMTSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The IUPAC name of (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol (CID 139069349) is (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol.
What is the SMILES notation for (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The canonical SMILES for (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol is Cc1ccc(C2=N[C@@](C)(O)C[C@H](c3ccccc3)[Se]2)cc1.
What is the InChIKey of (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
The InChIKey is XCOINRUMKUWMLL-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H19NOSe/c1-13-8-10-15(11-9-13)17-19-18(2,20)12-16(21-17)14-6-4-3-5-7-14/h3-11,16,20H,12H2,1-2H3/t16-,18+/m1/s1.
What are the key properties of (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol?
(4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol has a molecular weight of 344.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-methyl-2-(4-methylphenyl)-6-phenyl-5,6-dihydro-1,3-selenazin-4-ol is sourced from PubChem (CID 139069349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).