N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-2448 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 601.7 |
| Molecular Formula: | C32 H32 F N5 O4 S |
| Salt: | not_available |
| Smiles: | COCc1cc(nc(n1)SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.5396 |
| logD: | 5.5394 |
| logSw: | -5.4825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.583 |
| InChI Key: | FQYOLFQDHUBUHU-UHFFFAOYSA-N |