rel-(2R,7aR)-2-(2-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Chemical Structure Depiction of
rel-(2R,7aR)-2-(2-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
rel-(2R,7aR)-2-(2-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
Compound characteristics
| Compound ID: | SD57-0222 |
| Compound Name: | rel-(2R,7aR)-2-(2-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxohexahydro-1H-pyrrolizine-2-carboxamide |
| Molecular Weight: | 387.86 |
| Molecular Formula: | C20 H22 Cl N3 O3 |
| Smiles: | Cc1c(CNC([C@@]2(C[C@@H]3CCC(N3C2)=O)c2ccccc2[Cl])=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.304 |
| logD: | 2.304 |
| logSw: | -3.4124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.965 |
| InChI Key: | SDAOHQUIQVEGDH-JLTOFOAXSA-N |