[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methoxy-1H-indol-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methoxy-1H-indol-2-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methoxy-1H-indol-2-yl)methanone
Compound characteristics
| Compound ID: | S996-0282 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methoxy-1H-indol-2-yl)methanone |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C19 H25 N3 O5 S |
| Smiles: | COc1ccc2c(c1)cc(C(N1CC[C@@H]3CN(C[C@@]3(C1)CO)S(C)(=O)=O)=O)[nH]2 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2232 |
| logD: | 1.2232 |
| logSw: | -2.7198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.265 |
| InChI Key: | HPRATIJPLRZKCH-AUUYWEPGSA-N |