[(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][4-(prop-2-en-1-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
[(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][4-(prop-2-en-1-yl)piperazin-1-yl]methanone
[(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][4-(prop-2-en-1-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | N124-0102 |
| Compound Name: | [(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][4-(prop-2-en-1-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 540.61 |
| Molecular Formula: | C29 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(CC1)CC=C)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 1.4585 |
| logD: | 1.3295 |
| logSw: | -1.8389 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.044 |
| InChI Key: | RAWZZAJJGZCBRE-ULBKPHCJSA-N |