dimethyl [5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
dimethyl [5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D142-0041 |
| Compound Name: | dimethyl [5-{[2-(4-methoxyphenyl)ethyl]amino}-2-(4-nitrophenyl)-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 447.38 |
| Molecular Formula: | C20 H22 N3 O7 P |
| Smiles: | COc1ccc(CCNc2c(nc(c3ccc(cc3)[N+]([O-])=O)o2)P(=O)(OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5795 |
| logD: | 2.5795 |
| logSw: | -2.9112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.942 |
| InChI Key: | HCIIMQUZZPCXFV-UHFFFAOYSA-N |