2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-{[4-(propan-2-yl)phenyl]methyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-{[4-(propan-2-yl)phenyl]methyl}pyrimidin-4(3H)-one
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-{[4-(propan-2-yl)phenyl]methyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-1827 |
| Compound Name: | 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-methyl-5-{[4-(propan-2-yl)phenyl]methyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C27 H32 N4 O3 |
| Smiles: | CC(C)c1ccc(CC2=C(C)N=C(NC2=O)N2CCN(CC2)Cc2ccc3c(c2)OCO3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3298 |
| logD: | 2.9214 |
| logSw: | -4.2385 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.993 |
| InChI Key: | QLSCSZAGPLKLFJ-UHFFFAOYSA-N |