rel-(5aR,8aR)-1-benzyl-7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Chemical Structure Depiction of
rel-(5aR,8aR)-1-benzyl-7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
rel-(5aR,8aR)-1-benzyl-7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one
Compound characteristics
| Compound ID: | SB66-1079 |
| Compound Name: | rel-(5aR,8aR)-1-benzyl-7-(2,4-dimethyl-1,3-thiazole-5-carbonyl)octahydropyrrolo[3,4-b]azepin-2(1H)-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | Cc1c(C(N2C[C@H]3CCCC(N(Cc4ccccc4)[C@H]3C2)=O)=O)sc(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6439 |
| logD: | 2.6438 |
| logSw: | -2.7505 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.573 |
| InChI Key: | MUJSNZZQAMLCDL-ZWKOTPCHSA-N |