(2H-1,3-benzodioxol-5-yl)(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)methanone
(2H-1,3-benzodioxol-5-yl)(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V013-7929 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 478.98 |
| Molecular Formula: | C26 H27 Cl N4 O3 |
| Smiles: | CCc1c(Cc2ccc(cc2)[Cl])c(nc(C)n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0602 |
| logD: | 4.9505 |
| logSw: | -5.2877 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.374 |
| InChI Key: | XLTULDKKNNDCOO-UHFFFAOYSA-N |