dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0024 |
| Compound Name: | dimethyl [5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(4-methylphenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 416.37 |
| Molecular Formula: | C20 H21 N2 O6 P |
| Smiles: | Cc1ccc(cc1)c1nc(c(NCc2ccc3c(c2)OCO3)o1)P(=O)(OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8434 |
| logD: | 2.8434 |
| logSw: | -3.2211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.29 |
| InChI Key: | PJTIFFWUERKXOL-UHFFFAOYSA-N |