[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(4-methoxyphenyl)cyclopropyl]methanone
Compound characteristics
| Compound ID: | S997-0668 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl][1-(4-methoxyphenyl)cyclopropyl]methanone |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C20 H28 N2 O5 S |
| Smiles: | COc1ccc(cc1)C1(CC1)C(N1CC[C@]2(CN(C[C@H]2C1)S(C)(=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8718 |
| logD: | 0.8718 |
| logSw: | -1.9172 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.167 |
| InChI Key: | UUUNOKIHJIAMOZ-VQIMIIECSA-N |