NCIMech_000369
[3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate
Also Known As: NCIMech_000369|NCI60_002165|[3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihy|[3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate|[5-(3,4-Dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) bis(ethylcarbamate)|Carbamic acid, [5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester
| Molecular Formula | C21H25Cl2N3O4 |
|---|---|
| Molecular Weight | 453.12222 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 81.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.12222 |
| Monoisotopic Mass | 453.12222 |
| Heavy Atoms | 30 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 62523-06-2 |
|---|---|
| SMILES | CCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCC)C3=CC(=C(C=C3)Cl)Cl |
| InChIKey | HPZPIYUIZRBRLO-UHFFFAOYSA-N |
Product Overview
NCIMech_000369 (CAS 62523-06-2), with molecular formula C21H25Cl2N3O4 and molecular weight 453.12222 g/mol. IUPAC: [3-(3,4-dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate.
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