sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione

C27H26NNaO4S — CID 173367553

IUPACsodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccc(OCc4ccccc4)cc2)O3)S1.[H-].[Na+]
InChIInChI=1S/C27H25NO4S.Na.H/c29-26-25(33-27(30)28-26)16-20-8-13-24-21(14-20)9-12-23(32-24)15-18-6-10-22(11-7-18)31-17-19-4-2-1-3-5-19;;/h1-8,10-11,13-14,23,25H,9,12,15-17H2,(H,28,29,30);;/q;+1;-1
InChIKeyFHYJDMFYEMYOBS-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.21
Rot. Bonds7

About sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione

sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 173367553) has the molecular formula C27H26NNaO4S and a molecular weight of 483.57 g/mol. Its IUPAC name is sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Namesodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID173367553
Molecular FormulaC27H26NNaO4S
Molecular Weight483.57 g/mol
Exact Mass483.15
IUPAC Namesodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccc(OCc4ccccc4)cc2)O3)S1.[H-].[Na+]
InChIInChI=1S/C27H25NO4S.Na.H/c29-26-25(33-27(30)28-26)16-20-8-13-24-21(14-20)9-12-23(32-24)15-18-6-10-22(11-7-18)31-17-19-4-2-1-3-5-19;;/h1-8,10-11,13-14,23,25H,9,12,15-17H2,(H,28,29,30);;/q;+1;-1
InChIKeyFHYJDMFYEMYOBS-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-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 sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione (CID 173367553) is sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc3c(c2)CCC(Cc2ccc(OCc4ccccc4)cc2)O3)S1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FHYJDMFYEMYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4S.Na.H/c29-26-25(33-27(30)28-26)16-20-8-13-24-21(14-20)9-12-23(32-24)15-18-6-10-22(11-7-18)31-17-19-4-2-1-3-5-19;;/h1-8,10-11,13-14,23,25H,9,12,15-17H2,(H,28,29,30);;/q;+1;-1.
What are the key properties of sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione?
sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 483.57 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-[[2-[(4-phenylmethoxyphenyl)methyl]-3,4-dihydro-2H-chromen-6-yl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 173367553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).