1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
[1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
Also Known As: KST-1A9061|1-Methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)|[1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate|(1-methyl-4,5-diphenyl-1h-pyrrole-2,3-diyl)dimethanediyl bis(methylcarbamate)|(1-Methyl-4,5-diphenyl-1H-pyrrole-2,3-diyl)bis(methylene) bis(methylcarbamate)|[1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-|1H-Pyrrole-2,3-dimethanol, 1-methyl-4,5-diphenyl-, bis(methylcarbamate) (ester)|1H-Pyrrole-2, 1-methyl-4,5-diphenyl-, bis(methylcarbamate) (ester)
| Molecular Formula | C23H25N3O4 |
|---|---|
| Molecular Weight | 407.1845 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.1845 |
| Monoisotopic Mass | 407.1845 |
| Heavy Atoms | 30 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 94237-72-6 |
|---|---|
| SMILES | CNC(=O)OCC1=C(N(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C)COC(=O)NC |
| InChIKey | JCOSONMXLGZCKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate) (CAS 94237-72-6), with molecular formula C23H25N3O4 and molecular weight 407.1845 g/mol. IUPAC: [1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate.