{4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxol-6-yl]methanone
Chemical Structure Depiction of
{4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxol-6-yl]methanone
{4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxol-6-yl]methanone
Compound characteristics
| Compound ID: | N124-0139 |
| Compound Name: | {4-[(2-fluorophenyl)methyl]piperazin-1-yl}[(5R,6R,7R,8R)-8-hydroxy-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-2H-naphtho[2,3-d][1,3]dioxol-6-yl]methanone |
| Molecular Weight: | 608.66 |
| Molecular Formula: | C33 H37 F N2 O8 |
| Smiles: | [H][C@@]1(CO)[C@H](c2cc3c(cc2[C@@H](c2cc(c(c(c2)OC)OC)OC)[C@@]1([H])C(N1CCN(CC1)Cc1ccccc1F)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 2.6499 |
| logD: | 2.6284 |
| logSw: | -3.1164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.794 |
| InChI Key: | PQWGESBXDGSMSE-TYDXHICZSA-N |