rel-(2R,7aS)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aS)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aS)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SC91-0564 |
| Compound Name: | rel-(2R,7aS)-2-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C22 H21 Cl N2 O4 |
| Smiles: | C1C[C@H]2C[C@@](CN2C1=O)(C(Nc1ccc2c(c1)OCCO2)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4492 |
| logD: | 2.4476 |
| logSw: | -3.5559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.428 |
| InChI Key: | WOOSLYPAIFHIGP-OYHNWAKOSA-N |