rel-(1R,4R)-4,7,7-trimethyl-1-{4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-oxabicyclo[2.2.1]heptan-3-one
Chemical Structure Depiction of
rel-(1R,4R)-4,7,7-trimethyl-1-{4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-oxabicyclo[2.2.1]heptan-3-one
rel-(1R,4R)-4,7,7-trimethyl-1-{4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-oxabicyclo[2.2.1]heptan-3-one
Compound characteristics
| Compound ID: | V008-3090 |
| Compound Name: | rel-(1R,4R)-4,7,7-trimethyl-1-{4-[4-(3,4,5-trimethoxyphenyl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-oxabicyclo[2.2.1]heptan-3-one |
| Molecular Weight: | 510.59 |
| Molecular Formula: | C27 H34 N4 O6 |
| Salt: | not_available |
| Smiles: | CC1(C)[C@@]2(C)CC[C@@]1(C(N1CCN(CC1)c1nccc(c3cc(c(c(c3)OC)OC)OC)n1)=O)OC2=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2939 |
| logD: | 3.269 |
| logSw: | -3.5054 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.186 |
| InChI Key: | LCNQFEVYYWHALA-KAYWLYCHSA-N |