[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium

C26H27N2O7ReRfS2- — CID 58587590

IUPAC[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium
SMILESCc1c(C)c2c(c(C)c1OC(=O)[CH-]SN=O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2.[Re].[Rf]
InChIInChI=1S/C26H27N2O7S2.Re.Rf/c1-14-15(2)23-19(16(3)22(14)34-21(29)12-36-28-32)9-10-26(4,35-23)13-33-18-7-5-17(6-8-18)11-20-24(30)27-25(31)37-20;;/h5-8,12,20H,9-11,13H2,1-4H3,(H,27,30,31);;/q-1;;
InChIKeyOLPKUXYKVNKDST-UHFFFAOYSA-N
MW996.85 g/mol
LogP5.15
Rot. Bonds9

About [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium

[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium (PubChem CID 58587590) has the molecular formula C26H27N2O7ReRfS2- and a molecular weight of 996.85 g/mol. Its IUPAC name is [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium.

Molecular Properties

Compound Name[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium
PubChem CID58587590
Molecular FormulaC26H27N2O7ReRfS2-
Molecular Weight996.85 g/mol
Exact Mass997.20
IUPAC Name[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium
SMILESCc1c(C)c2c(c(C)c1OC(=O)[CH-]SN=O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2.[Re].[Rf]
InChIInChI=1S/C26H27N2O7S2.Re.Rf/c1-14-15(2)23-19(16(3)22(14)34-21(29)12-36-28-32)9-10-26(4,35-23)13-33-18-7-5-17(6-8-18)11-20-24(30)27-25(31)37-20;;/h5-8,12,20H,9-11,13H2,1-4H3,(H,27,30,31);;/q-1;;
InChIKeyOLPKUXYKVNKDST-UHFFFAOYSA-N
XLogP5.15
TPSA120.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.85
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium 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 [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium?
The IUPAC name of [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium (CID 58587590) is [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium.
What is the SMILES notation for [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium?
The canonical SMILES for [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium is Cc1c(C)c2c(c(C)c1OC(=O)[CH-]SN=O)CCC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2.[Re].[Rf].
What is the InChIKey of [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium?
The InChIKey is OLPKUXYKVNKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N2O7S2.Re.Rf/c1-14-15(2)23-19(16(3)22(14)34-21(29)12-36-28-32)9-10-26(4,35-23)13-33-18-7-5-17(6-8-18)11-20-24(30)27-25(31)37-20;;/h5-8,12,20H,9-11,13H2,1-4H3,(H,27,30,31);;/q-1;;.
What are the key properties of [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium?
[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium has a molecular weight of 996.85 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] 2-nitrososulfanylacetate;rhenium;rutherfordium is sourced from PubChem (CID 58587590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).