2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | M179-3603 |
| Compound Name: | 2-[(6-{[(2-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 484.02 |
| Molecular Formula: | C24 H26 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CSc1cc(NCc2ccccc2[Cl])ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4306 |
| logD: | 4.429 |
| logSw: | -4.4546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.136 |
| InChI Key: | FHAIYASCQBEEQS-UHFFFAOYSA-N |