rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0954 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 373.49 |
| Molecular Formula: | C20 H24 F N3 O S |
| Smiles: | Cc1c(CN2C[C@H]3CCCC(N(Cc4cccc(c4)F)[C@H]3C2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6026 |
| logD: | 2.2837 |
| logSw: | -2.6924 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.4736 |
| InChI Key: | HRACXRQCJVKYPR-FUHWJXTLSA-N |