(4-ethylpiperazin-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-ethylpiperazin-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-ethylpiperazin-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: | N124-0043 |
| Compound Name: | (4-ethylpiperazin-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: | 528.6 |
| Molecular Formula: | C28 H36 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(CC)CC1)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 1.2019 |
| logD: | 0.7624 |
| logSw: | -1.827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.79 |
| InChI Key: | NEEDHHOTKRLMBP-QNMIOERPSA-N |