(5R,6R,7R,8R)-N-[(3,5-difluorophenyl)methyl]-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-[(3,5-difluorophenyl)methyl]-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-[(3,5-difluorophenyl)methyl]-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: | N124-0053 |
| Compound Name: | (5R,6R,7R,8R)-N-[(3,5-difluorophenyl)methyl]-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: | 557.55 |
| Molecular Formula: | C29 H29 F2 N O8 |
| Smiles: | [H][C@@]1(CO)[C@H](c2cc3c(cc2[C@@H](c2cc(c(c(c2)OC)OC)OC)[C@@]1([H])C(NCc1cc(cc(c1)F)F)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 2.7255 |
| logD: | 2.7251 |
| logSw: | -2.9694 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.019 |
| InChI Key: | MHVVYXNEFLAKMB-ULBKPHCJSA-N |