Basic information
- CAS
72572-62-4- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccccc2)n(C)c1-c1ccccc1- InChIKey
ZDDDGAXQARZPDM-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.18450629
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1-methyl-2,5-diphenyl-3,4-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
- IUPAC
- [1-methyl-4-(methylcarbamoyloxymethyl)-2,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
72572-62-41-Methyl-2,5-diphenyl-3,4-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)DTXSID802228841H-Pyrrole-3,4-dimethanol, 1-methyl-2,5-diphenyl-, bis(methylcarbamate) (ester)RefChem:76220DTXCID10145375(1-Methyl-2,5-diphenyl-1H-pyrrole-3,4-diyl)bis(methylene) bis(methylcarbamate)NSC301486[1-methyl-4-(methylcarbamoyloxymethyl)-2,5-diphenylpyrrol-3-yl]methyl N-methylcarbamateCHEMBL171183NSC 301486NSC-301486
Show more names
1H-Pyrrole-3, 1-methyl-2,5-diphenyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
72572-62-4- PubChem CID
- 192014
- DTXSID
DTXSID80222884- ChEMBL
CHEMBL171183
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 513
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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