rel-(3aR,7aR)-2-[(4-chlorophenyl)acetyl]-5-methyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[(4-chlorophenyl)acetyl]-5-methyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[(4-chlorophenyl)acetyl]-5-methyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0145 |
| Compound Name: | rel-(3aR,7aR)-2-[(4-chlorophenyl)acetyl]-5-methyloctahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 306.79 |
| Molecular Formula: | C16 H19 Cl N2 O2 |
| Smiles: | [H][C@]12CC(N(C)C[C@]2([H])CN(C1)C(Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7899 |
| logD: | 1.7899 |
| logSw: | -2.4782 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.137 |
| InChI Key: | YELASYFVZUTGRX-OLZOCXBDSA-N |