(5R,6R,7R,8R)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
Chemical Structure Depiction of
(5R,6R,7R,8R)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
(5R,6R,7R,8R)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxamide
Compound characteristics
| Compound ID: | N124-0177 |
| Compound Name: | (5R,6R,7R,8R)-N-[2-(4-benzylpiperidin-1-yl)ethyl]-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxole-6-carboxamide |
| Molecular Weight: | 632.76 |
| Molecular Formula: | C36 H44 N2 O8 |
| Smiles: | [H][C@@]1(CO)[C@H](c2cc3c(cc2[C@@H](c2cc(c(c(c2)OC)OC)OC)[C@@]1([H])C(NCCN1CCC(CC1)Cc1ccccc1)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 3.6429 |
| logD: | 2.382 |
| logSw: | -3.9266 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.571 |
| InChI Key: | RBQLBIKMGVQTFA-BJHVCKBZSA-N |