rel-(8aR,11aS)-1-(phenoxyacetyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-(phenoxyacetyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
rel-(8aR,11aS)-1-(phenoxyacetyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S798-0074 |
| Compound Name: | rel-(8aR,11aS)-1-(phenoxyacetyl)decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C18 H24 N2 O4 |
| Smiles: | C1C[C@H]2[C@@H](C1)C(NCCOCCN2C(COc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8609 |
| logD: | 0.8609 |
| logSw: | -1.9133 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.754 |
| InChI Key: | HPUJOTCCEMLLJW-CVEARBPZSA-N |