methyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L981-0278 |
| Compound Name: | methyl 2-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | COC(c1ccccc1NC(CSc1c(nccn1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4912 |
| logD: | 2.4747 |
| logSw: | -2.9552 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.205 |
| InChI Key: | AQTVUGXXOBKPSG-UHFFFAOYSA-N |