rel-(5aR,8aR)-7-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-7-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-7-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1127 |
| Compound Name: | rel-(5aR,8aR)-7-[3-(1,3-benzothiazol-2-yl)propanoyl]-1-benzyloctahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C25 H27 N3 O2 S |
| Smiles: | C1CC(N(Cc2ccccc2)[C@H]2CN(C[C@H]2C1)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5601 |
| logD: | 3.5601 |
| logSw: | -3.625 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.873 |
| InChI Key: | RBIWXPFXXVRQEA-PZJWPPBQSA-N |