[3-(4-fluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
Basic information
- CAS
62522-86-5- Standard SMILES
CNC(=O)OCc1c(COC(=O)NC)c(-c2ccc(F)cc2)n2c1CCC2- InChIKey
UHDCUGADFBGPPB-UHFFFAOYSA-N- Molecular formula
- C19H22FN3O4
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.15943435
Names & identifiers
- Preferred name
- [3-(4-fluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
- IUPAC
- [3-(4-fluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamate
Names & synonyms
62522-86-5NSC270044[3-(4-fluorophenyl)-2-(methylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-methylcarbamateCHEMBL353039DTXSID60313426NSC-2700441H-Pyrrolizine-6, 5-(4-fluorophenyl)-2,3-dihydro-, bis(methylcarbamate) (ester)[5-(4-Fluorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(methylcarbamate)
Database identifiers
- CAS
62522-86-5- PubChem CID
- 320906
- DTXSID
DTXSID60313426- ChEMBL
CHEMBL353039
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
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Compound notes
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