dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Chemical Structure Depiction of
dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl)phosphonate
dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Compound characteristics
| Compound ID: | D055-0158 |
| Compound Name: | dimethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-methoxyphenyl)methyl]-1,3-oxazol-4-yl)phosphonate |
| Molecular Weight: | 446.4 |
| Molecular Formula: | C21 H23 N2 O7 P |
| Smiles: | COc1ccc(Cc2nc(c(NCc3ccc4c(c3)OCO4)o2)P(=O)(OC)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4702 |
| logD: | 2.4702 |
| logSw: | -2.8308 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.5 |
| InChI Key: | XFRUSZMDKFTWAI-UHFFFAOYSA-N |