N-(2H-1,3-benzodioxol-5-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | M179-2960 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamide |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C23 H22 F N5 O3 S |
| Smiles: | C1CN(CCN1c1ccccc1F)c1cc(ncn1)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4852 |
| logD: | 4.4851 |
| logSw: | -4.3275 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.278 |
| InChI Key: | IPKREDHGXOZSCN-UHFFFAOYSA-N |