methyl 3-({3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}carbamamido)benzoate
methyl 3-({3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | P130-0660 |
| Compound Name: | methyl 3-({3-[3-(thiomorpholin-4-yl)pyrazin-2-yl]phenyl}carbamamido)benzoate |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | COC(c1cccc(c1)NC(Nc1cccc(c1)c1c(nccn1)N1CCSCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8383 |
| logD: | 4.8383 |
| logSw: | -4.688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.695 |
| InChI Key: | PSLCYGQAWDAQLM-UHFFFAOYSA-N |