ethyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L981-0664 |
| Compound Name: | ethyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H27 N5 O3 S |
| Smiles: | CCOC(c1ccccc1NC(CSc1c(nccn1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2453 |
| logD: | 4.2288 |
| logSw: | -4.1024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.045 |
| InChI Key: | MUFDJGHOPOAWOS-UHFFFAOYSA-N |