1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(morpholine-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(morpholine-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(morpholine-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-1776 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(morpholine-4-sulfonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C15 H27 N3 O5 S |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)COC)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.6685 |
| logD: | -0.6685 |
| logSw: | -1.0515 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.97 |
| InChI Key: | ORRMUVXYVZFEAQ-HUUCEWRRSA-N |