rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(methanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(methanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(methanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0116 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(methanesulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 340.41 |
| Molecular Formula: | C16 H21 F N2 O3 S |
| Smiles: | CS(N1C[C@H]2CCCC(N(Cc3cccc(c3)F)[C@H]2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3161 |
| logD: | 1.3161 |
| logSw: | -2.2229 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.011 |
| InChI Key: | IKYJIRFCEOZTOC-DZGCQCFKSA-N |