2-(3-chlorophenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
2-(3-chlorophenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | CM2408-3872 |
| Compound Name: | 2-(3-chlorophenyl)-1-[rel-(3aR,7aR)-3a-(fluoromethyl)-5-(methanesulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 388.89 |
| Molecular Formula: | C17 H22 Cl F N2 O3 S |
| Smiles: | CS(N1CC[C@H]2CN(C[C@]2(C1)CF)C(Cc1cccc(c1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9979 |
| logD: | 1.9979 |
| logSw: | -2.7455 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.729 |
| InChI Key: | RFTDIJCQCPZWMN-PBHICJAKSA-N |