(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione

C23H18N2O3 — CID 7038000

IUPAC(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-21-20(22(27)25(23(28)24-21)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,24,26,28)/t20-/m1/s1
InChIKeyDEVSNVLDSUYQNR-HXUWFJFHSA-N
MW370.41 g/mol
LogP3.72
Rot. Bonds4

About (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione

(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 7038000) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID7038000
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H18N2O3/c26-21-20(22(27)25(23(28)24-21)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,24,26,28)/t20-/m1/s1
InChIKeyDEVSNVLDSUYQNR-HXUWFJFHSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione (CID 7038000) is (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione is O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DEVSNVLDSUYQNR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-21-20(22(27)25(23(28)24-21)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15,19-20H,(H,24,26,28)/t20-/m1/s1.
What are the key properties of (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione?
(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 370.41 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7038000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).