3-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-methylphenyl acetate
Chemical Structure Depiction of
3-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-methylphenyl acetate
3-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-methylphenyl acetate
Compound characteristics
| Compound ID: | V015-2374 |
| Compound Name: | 3-{4-[4-(2H-1,3-benzodioxol-5-yl)pyrimidin-2-yl]piperazine-1-carbonyl}-2-methylphenyl acetate |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | CC(=O)Oc1cccc(C(N2CCN(CC2)c2nccc(c3ccc4c(c3)OCO4)n2)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.6868 |
| logD: | 3.6861 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.759 |
| InChI Key: | LOTDLOHXSBABRH-UHFFFAOYSA-N |