Basic information
- CAS
74296-46-1- Standard SMILES
O=C(NCc1ccccc1)OCc1c(COC(=O)NCc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2- InChIKey
SKYPQEROFHFAOO-UHFFFAOYSA-N- Molecular formula
- C31H29Cl2N3O4
- Average molar mass
- 578.5 g/mol
- Monoisotopic mass
- 577.1535118
Names & identifiers
- Preferred name
- [2-(benzylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-benzylcarbamate
- IUPAC
- [2-(benzylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-benzylcarbamate
Names & synonyms
74296-46-1NSC305250[2-(benzylcarbamoyloxymethyl)-3-(3,4-dichlorophenyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-benzylcarbamateDTXSID30316606NSC-305250[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(benzylcarbamate)
Database identifiers
- CAS
74296-46-1- PubChem CID
- 327985
- DTXSID
DTXSID30316606
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 822
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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