3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-1692 |
| Compound Name: | 3-[({4,5-dimethyl-6-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 564.75 |
| Molecular Formula: | C33 H36 N6 O S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)C/C=C/c1ccccc1)SCc1cccc(c1)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.46 |
| logD: | 5.395 |
| logSw: | -5.1953 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.673 |
| InChI Key: | CRPGGXYSESLPQQ-UHFFFAOYSA-N |