1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V004-6823 |
| Compound Name: | 1-(4-{4-[({4-[4-(2-chlorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 595.16 |
| Molecular Formula: | C30 H35 Cl N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2ccccc2[Cl])cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1799 |
| logD: | 4.1797 |
| logSw: | -4.4289 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.898 |
| InChI Key: | JYGZRLBIWCFBKQ-UHFFFAOYSA-N |