methyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L981-0663 |
| Compound Name: | methyl 2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C24 H25 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1c(nccn1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7017 |
| logD: | 3.6851 |
| logSw: | -3.9618 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.465 |
| InChI Key: | JCDPVNNCILHKGU-UHFFFAOYSA-N |