2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | M179-3594 |
| Compound Name: | 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethan-1-one |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C23 H24 Cl N5 O S |
| Smiles: | C(c1ccccc1[Cl])Nc1cc(ncn1)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3266 |
| logD: | 4.3251 |
| logSw: | -4.3999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.592 |
| InChI Key: | XFFAOKHHGKAAPA-UHFFFAOYSA-N |