1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-1351 |
| Compound Name: | 1-{rel-(3aR,7aS)-7a-(hydroxymethyl)-2-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C21 H28 N2 O4 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(C1(CC1)c1ccc(cc1)OC)=O)CO)=O |
| Stereo: | RELATIVE |
| logP: | 1.0103 |
| logD: | 1.0103 |
| logSw: | -1.7669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.08 |
| InChI Key: | SAKSVXCJGAYFCS-YLJYHZDGSA-N |