3-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-2-hydroxypropyl butanoate
3-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V018-8885 |
| Compound Name: | 3-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-2-hydroxypropyl butanoate |
| Molecular Weight: | 475.03 |
| Molecular Formula: | C25 H35 Cl N4 O3 |
| Smiles: | CCCC(=O)OCC(CN1CCN(CC1)c1c(Cc2ccc(cc2)[Cl])c(CC)nc(C)n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8387 |
| logD: | 4.1686 |
| logSw: | -4.511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.768 |
| InChI Key: | KTFRADLYIVUBOR-NRFANRHFSA-N |