rel-(3aR,7aS)-5-chloro-2-[2-(piperidin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-5-chloro-2-[2-(piperidin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-5-chloro-2-[2-(piperidin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8012-0857 |
| Compound Name: | rel-(3aR,7aS)-5-chloro-2-[2-(piperidin-1-yl)ethyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 296.79 |
| Molecular Formula: | C15 H21 Cl N2 O2 |
| Smiles: | C1CCN(CC1)CCN1C([C@H]2CC=C(C[C@H]2C1=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8523 |
| logD: | 1.0552 |
| logSw: | -2.7032 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.644 |
| InChI Key: | SHZOHIJTDOCLRY-QWHCGFSZSA-N |