(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione

C28H29FN2O3Si — CID 154716097

IUPAC(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
SMILESCN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C(c3ccccc3)c3ccccc3)OC(=O)N2)c2cc(F)ccc21
InChIInChI=1S/C28H29FN2O3Si/c1-31-24-15-14-21(29)16-23(24)28(26(31)32)17-22(34-27(33)30-28)18-35(2,3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,22,25H,17-18H2,1-3H3,(H,30,33)/t22-,28+/m0/s1
InChIKeyMBGKAJYEOMPIKR-RBISFHTESA-N
MW488.64 g/mol
LogP5.58
Rot. Bonds5

About (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione

(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione (PubChem CID 154716097) has the molecular formula C28H29FN2O3Si and a molecular weight of 488.64 g/mol. Its IUPAC name is (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione.

Molecular Properties

Compound Name(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
PubChem CID154716097
Molecular FormulaC28H29FN2O3Si
Molecular Weight488.64 g/mol
Exact Mass488.19
IUPAC Name(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione
SMILESCN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C(c3ccccc3)c3ccccc3)OC(=O)N2)c2cc(F)ccc21
InChIInChI=1S/C28H29FN2O3Si/c1-31-24-15-14-21(29)16-23(24)28(26(31)32)17-22(34-27(33)30-28)18-35(2,3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,22,25H,17-18H2,1-3H3,(H,30,33)/t22-,28+/m0/s1
InChIKeyMBGKAJYEOMPIKR-RBISFHTESA-N
XLogP5.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione 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 (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The IUPAC name of (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione (CID 154716097) is (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione.
What is the SMILES notation for (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The canonical SMILES for (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione is CN1C(=O)[C@@]2(C[C@@H](C[Si](C)(C)C(c3ccccc3)c3ccccc3)OC(=O)N2)c2cc(F)ccc21.
What is the InChIKey of (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
The InChIKey is MBGKAJYEOMPIKR-RBISFHTESA-N. The full InChI is InChI=1S/C28H29FN2O3Si/c1-31-24-15-14-21(29)16-23(24)28(26(31)32)17-22(34-27(33)30-28)18-35(2,3)25(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-16,22,25H,17-18H2,1-3H3,(H,30,33)/t22-,28+/m0/s1.
What are the key properties of (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione?
(4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione has a molecular weight of 488.64 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-[[benzhydryl(dimethyl)silyl]methyl]-5'-fluoro-1'-methylspiro[1,3-oxazinane-4,3'-indole]-2,2'-dione is sourced from PubChem (CID 154716097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).