[3-(3,4-dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamate
Basic information
- CAS
74296-43-8- Standard SMILES
CCCNC(=O)OCc1c(COC(=O)NCCC)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2- InChIKey
WFDVKJNRLURTDB-UHFFFAOYSA-N- Molecular formula
- C23H29Cl2N3O4
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 481.1535118
Names & identifiers
- Preferred name
- [3-(3,4-dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamate
- IUPAC
- [3-(3,4-dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamate
Names & synonyms
74296-43-8NSC278213[3-(3,4-dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamateCHEMBL1974303DTXSID20313902NSC-278213NCI60_002263[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(propylcarbamate)
Database identifiers
- CAS
74296-43-8- PubChem CID
- 322174
- DTXSID
DTXSID20313902- ChEMBL
CHEMBL1974303
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 626
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Compound notes
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