(4-chloro-2-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Chemical Structure Depiction of
(4-chloro-2-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
(4-chloro-2-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone
Compound characteristics
| Compound ID: | S858-6322 |
| Compound Name: | (4-chloro-2-methoxyphenyl)[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]methanone |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C17 H23 Cl N2 O5 S |
| Smiles: | COc1cc(ccc1C(N1CC[C@H]2CN(C[C@]2(C1)CO)S(C)(=O)=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3506 |
| logD: | 1.3506 |
| logSw: | -2.6291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.002 |
| InChI Key: | AAKLNGMTWDZRTC-SJKOYZFVSA-N |