3-cyano-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
Chemical Structure Depiction of
3-cyano-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
3-cyano-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide
Compound characteristics
| Compound ID: | P431-0772 |
| Compound Name: | 3-cyano-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-2-yl]-1H-pyrazol-4-yl}benzamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C19 H17 N7 O S |
| Smiles: | C1CSCCN1c1cnc(nc1)n1cc(cn1)NC(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3194 |
| logD: | 1.3104 |
| logSw: | -2.4594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.737 |
| InChI Key: | CGRNNGLZPSNSOZ-UHFFFAOYSA-N |