2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentylpyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentylpyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentylpyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 7399-0425 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-pentylpyrimidin-4(3H)-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CCCCCC1=C(C)N=C(NC1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.672 |
| logD: | 2.2636 |
| logSw: | -3.5849 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.264 |
| InChI Key: | GZVWBAFESSTNTQ-UHFFFAOYSA-N |