dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(thiophen-2-yl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(thiophen-2-yl)-1,3-oxazol-4-yl]phosphonate
dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(thiophen-2-yl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0128 |
| Compound Name: | dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(thiophen-2-yl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 408.37 |
| Molecular Formula: | C17 H17 N2 O6 P S |
| Smiles: | COP(c1c(NCc2ccc3c(c2)OCO3)oc(c2cccs2)n1)(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2617 |
| logD: | 2.2617 |
| logSw: | -2.7457 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.309 |
| InChI Key: | XSFFUKGKHUYWAW-UHFFFAOYSA-N |