[5-(3,4-dichlorophenyl)-6,7-bis(propan-2-ylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-2-yl] 2-(dimethylamino)acetate

HCID 433377

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Basic information

CAS: 86422-07-3
Standard SMILES: CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)c(Cl)c2)n2c1CC(OC(=O)CN(C)C)C2
InChIKey: ZAQUAOCBNXNKTP-UHFFFAOYSA-N
Molecular formula: C27H36Cl2N4O6
Average molar mass: 583.5 g/mol
Monoisotopic mass: 582.2011903

Names & identifiers

Preferred name: [5-(3,4-dichlorophenyl)-6,7-bis(propan-2-ylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-2-yl] 2-(dimethylamino)acetate
IUPAC: [5-(3,4-dichlorophenyl)-6,7-bis(propan-2-ylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-2-yl] 2-(dimethylamino)acetate

Names & synonyms

86422-07-3NSC328624[5-(3,4-dichlorophenyl)-6,7-bis(propan-2-ylcarbamoyloxymethyl)-2,3-dihydro-1H-pyrrolizin-2-yl] 2-(dimethylamino)acetateCHEMBL283437DTXSID50330889NSC-3286245-(3,4-Dichlorophenyl)-6,7-bis({[(propan-2-yl)carbamoyl]oxy}methyl)-2,3-dihydro-1H-pyrrolizin-2-yl N,N-dimethylglycinateGlycine,N-dimethyl-, 5-(3,4-dichlorophenyl)-2,3-dihydro-6,7-bis[[[[(1-methylethyl)amino]carbonyl]oxy]methyl]-1H-pyrrolizin-2-yl ester, (R)-

Database identifiers

CAS: 86422-07-3
PubChem CID: 433377
DTXSID: DTXSID50330889
ChEMBL: CHEMBL283437

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 111 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 13
Heavy atoms: 39
Formal charge: 0
Complexity: 847

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