dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Chemical Structure Depiction of
dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Compound characteristics
| Compound ID: | D055-0143 |
| Compound Name: | dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl)phosphonate |
| Molecular Weight: | 450.81 |
| Molecular Formula: | C20 H20 Cl N2 O6 P |
| Smiles: | COP(c1c(NCc2ccc3c(c2)OCO3)oc(Cc2ccc(cc2)[Cl])n1)(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0826 |
| logD: | 3.0826 |
| logSw: | -3.5562 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.956 |
| InChI Key: | KNKMTBBAWSEGDF-UHFFFAOYSA-N |