N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V025-5268 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-ethyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 585.7 |
| Molecular Formula: | C32 H32 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.3593 |
| logD: | 6.359 |
| logSw: | -5.5779 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.16 |
| InChI Key: | DELYIJJVPZQMDQ-UHFFFAOYSA-N |