ethyl 2-(2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M459-0874 |
| Compound Name: | ethyl 2-(2-{[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1nccc(n1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7227 |
| logD: | 4.7097 |
| logSw: | -4.4478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.074 |
| InChI Key: | PDXSIYKRKMKDAX-UHFFFAOYSA-N |