dimethyl [2-(4-tert-butylphenyl)-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl]phosphonate
Chemical Structure Depiction of
dimethyl [2-(4-tert-butylphenyl)-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl]phosphonate
dimethyl [2-(4-tert-butylphenyl)-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl]phosphonate
Compound characteristics
| Compound ID: | D055-0047 |
| Compound Name: | dimethyl [2-(4-tert-butylphenyl)-5-{[(pyridin-3-yl)methyl]amino}-1,3-oxazol-4-yl]phosphonate |
| Molecular Weight: | 415.43 |
| Molecular Formula: | C21 H26 N3 O4 P |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc(c(NCc2cccnc2)o1)P(=O)(OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0737 |
| logD: | 3.059 |
| logSw: | -2.9013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.693 |
| InChI Key: | JGMFHNNRDFMRRZ-UHFFFAOYSA-N |