methyl 3-[2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 3-[2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
methyl 3-[2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M179-2975 |
| Compound Name: | methyl 3-[2-({6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H24 F N5 O3 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1cc(ncn1)N1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9235 |
| logD: | 4.9234 |
| logSw: | -4.6779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.336 |
| InChI Key: | NGOAEOKGHXTAQQ-UHFFFAOYSA-N |