rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0968 |
| Compound Name: | rel-(5aR,8aR)-1-[(3-fluorophenyl)methyl]-7-(pyridine-3-sulfonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C20 H22 F N3 O3 S |
| Smiles: | C1CC(N(Cc2cccc(c2)F)[C@H]2CN(C[C@H]2C1)S(c1cccnc1)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.8452 |
| logD: | 1.8452 |
| logSw: | -1.9747 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.765 |
| InChI Key: | FZVPPXJNPDJYJZ-QFBILLFUSA-N |