(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S996-0277 |
| Compound Name: | (1,2-dimethyl-5-phenyl-1H-pyrrol-3-yl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | Cc1c(cc(c2ccccc2)n1C)C(N1CC[C@@H]2CN(C[C@@]2(C1)CO)S(C)(=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.545 |
| logD: | 1.545 |
| logSw: | -2.5698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.132 |
| InChI Key: | NJGMKIFADVBUDD-XMSQKQJNSA-N |