N-(2H-1,3-benzodioxol-5-yl)-1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | P510-0634 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-[6-(thiomorpholin-4-yl)pyrimidin-4-yl]piperidine-4-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | C1CN(CCC1C(Nc1ccc2c(c1)OCO2)=O)c1cc(ncn1)N1CCSCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4986 |
| logD: | 3.4813 |
| logSw: | -3.6261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.087 |
| InChI Key: | JHBDRCFDWLOUKT-UHFFFAOYSA-N |