2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D629-0187 |
| Compound Name: | 2-{2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl}-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | Cc1ccc(cc1)OCc1nc(CC(N2CCN(CC2)c2ncccn2)=O)cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.4848 |
| logD: | 3.4848 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.206 |
| InChI Key: | KVLVQVLRSIISCV-UHFFFAOYSA-N |