3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-2648 |
| Compound Name: | 3-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 531.65 |
| Molecular Formula: | C29 H30 F N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCc1ccco1)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.4888 |
| logD: | 6.4883 |
| logSw: | -5.6504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.793 |
| InChI Key: | NNDKXRUPACAVSY-UHFFFAOYSA-N |