rel-(5aR,8aR)-7-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-0003 |
| Compound Name: | rel-(5aR,8aR)-7-(1,2-dimethyl-5-phenyl-1H-pyrrole-3-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | Cc1c(cc(c2ccccc2)n1C)C(N1C[C@H]2CCCC(N[C@H]2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9572 |
| logD: | 1.9572 |
| logSw: | -2.8599 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.642 |
| InChI Key: | VZZOLMPRICTWRF-WMZOPIPTSA-N |