1-(4-{4-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{4-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
1-(4-{4-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V004-6846 |
| Compound Name: | 1-(4-{4-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 600.78 |
| Molecular Formula: | C33 H40 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)C/C=C/c2ccccc2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9841 |
| logD: | 3.9709 |
| logSw: | -4.127 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.458 |
| InChI Key: | JCNAXYSVQIRZSJ-UHFFFAOYSA-N |