1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)octan-1-one
Chemical Structure Depiction of
1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)octan-1-one
1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)octan-1-one
Compound characteristics
| Compound ID: | V005-2835 |
| Compound Name: | 1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)octan-1-one |
| Molecular Weight: | 457.06 |
| Molecular Formula: | C26 H37 Cl N4 O |
| Salt: | not_available |
| Smiles: | CCCCCCCC(N1CCN(CC1)c1c(Cc2ccc(cc2)[Cl])c(CC)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7813 |
| logD: | 6.6716 |
| logSw: | -6.1596 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.002 |
| InChI Key: | VNIIPKIGGVSXOB-UHFFFAOYSA-N |