[(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-(2-methylpropyl)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-(2-methylpropyl)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-(2-methylpropyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | N124-0103 |
| 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-(2-methylpropyl)piperazin-1-yl]methanone |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C30 H40 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)C)=O)OCO3)O |
| Stereo: | ABSOLUTE |
| logP: | 2.1332 |
| logD: | 1.6696 |
| logSw: | -2.5369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.066 |
| InChI Key: | BHMKBWXNVGUCEQ-GVQBMFDGSA-N |