3-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
3-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V003-5722 |
| Compound Name: | 3-[({4-(methoxymethyl)-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 545.75 |
| Molecular Formula: | C31 H39 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nc(COC)cc(n2)N2CCN(CC2)C/C=C/c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.804 |
| logD: | 5.7907 |
| logSw: | -5.4876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.299 |
| InChI Key: | CJEDKBDMFHLGET-UHFFFAOYSA-N |