2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D475-0139 |
| Compound Name: | 2-{5-hydroxy-3-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-pyrazol-4-yl}-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | Cc1ccc(cc1)c1csc(n1)n1c(c(CC(N2CCN(CC2)c2ccccc2)=O)c(C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 4.6314 |
| logD: | 2.141 |
| logSw: | -4.3874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.018 |
| InChI Key: | NTDLDHAOZBBPSN-UHFFFAOYSA-N |