N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | E727-0394 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C20 H17 N3 O3 S |
| Smiles: | CSc1ncc(C(NCc2ccc3c(c2)OCO3)=O)c(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7753 |
| logD: | 3.7753 |
| logSw: | -3.86 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.081 |
| InChI Key: | CGYMTXGJEYUMMD-UHFFFAOYSA-N |