methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L981-0281 |
| Compound Name: | methyl 4-(2-{[3-(thiomorpholin-4-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C18 H20 N4 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1c(nccn1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8574 |
| logD: | 2.8573 |
| logSw: | -3.4751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.903 |
| InChI Key: | VMGIZEONBACKTN-UHFFFAOYSA-N |