Basic information
- CAS
64618-21-9- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(C)n(-c2ccc3c(c2)OCO3)c1C- InChIKey
MGFOJLPPUZNVDA-UHFFFAOYSA-N- Molecular formula
- C19H23N3O6
- Average molar mass
- 389.4 g/mol
- Monoisotopic mass
- 389.15868546
Names & identifiers
- Preferred name
- [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
- IUPAC
- [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
Names & synonyms
64618-21-9NSC276364[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamateCHEMBL3276896DTXSID10313739NSC-2763641H-Pyrrole-3, 1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-, bis(methylcarbamate) (ester)[1-(2H-1,3-Benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene) bis(methylcarbamate)
Database identifiers
- CAS
64618-21-9- PubChem CID
- 321872
- DTXSID
DTXSID10313739- ChEMBL
CHEMBL3276896
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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