[2-(tert-butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-tert-butylcarbamate
Basic information
- CAS
74296-45-0- Standard SMILES
CC(C)(C)NC(=O)OCc1c(COC(=O)NC(C)(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2- InChIKey
HTYMNJCWUGUEDX-UHFFFAOYSA-N- Molecular formula
- C25H33Cl2N3O4
- Average molar mass
- 510.4 g/mol
- Monoisotopic mass
- 509.1848119
Names & identifiers
- Preferred name
- [2-(tert-butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-tert-butylcarbamate
- IUPAC
- [2-(tert-butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-tert-butylcarbamate
Names & synonyms
74296-45-0NSC305254[2-(tert-butylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-tert-butylcarbamateDTXSID20316610NSC-305254[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(tert-butylcarbamate)Carbamic acid,1-dimethylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester
Database identifiers
- CAS
74296-45-0- PubChem CID
- 327989
- DTXSID
DTXSID20316610
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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