Basic information
- CAS
72572-64-6- Standard SMILES
CNC(=O)OCc1c(-c2ccccc2)c(-c2ccccc2)n(C)c1COC(=O)NC- InChIKey
JCOSONMXLGZCKS-UHFFFAOYSA-N- Molecular formula
- C23H25N3O4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.18450629
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)
- IUPAC
- [1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
72572-64-61-Methyl-2,3-diphenyl-4,5-bis(hydroxymethyl)pyrrole bis(N-methylcarbamate)DTXSID402228851H-Pyrrole-2,3-dimethanol, 1-methyl-4,5-diphenyl-, bis(methylcarbamate) (ester)RefChem:76219DTXCID70145376[1-methyl-2-(methylcarbamoyloxymethyl)-4,5-diphenylpyrrol-3-yl]methyl N-methylcarbamate(1-Methyl-4,5-diphenyl-1H-pyrrole-2,3-diyl)bis(methylene) bis(methylcarbamate)NSC305248CHEMBL353278SCHEMBL10515479NSC 305248
Show more names
NSC-305248DS-0030891H-Pyrrole-2, 1-methyl-4,5-diphenyl-, bis(methylcarbamate) (ester)
Database identifiers
- CAS
72572-64-6- PubChem CID
- 192015
- DTXSID
DTXSID40222885- ChEMBL
CHEMBL353278
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
- 561
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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