dimethyl [5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
dimethyl [5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0171 |
| Compound Name: | dimethyl [5-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-(3-nitrophenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 477.41 |
| Molecular Formula: | C21 H24 N3 O8 P |
| Smiles: | COc1ccc(CCNc2c(nc(c3cccc(c3)[N+]([O-])=O)o2)P(=O)(OC)OC)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0541 |
| logD: | 2.0541 |
| logSw: | -2.5613 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.659 |
| InChI Key: | XWMNROLRMRJSIO-UHFFFAOYSA-N |