diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Chemical Structure Depiction of
diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate
Compound characteristics
| Compound ID: | D142-0129 |
| Compound Name: | diethyl (5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-[(4-nitrophenyl)methyl]-1,3-oxazol-4-yl)phosphonate |
| Molecular Weight: | 489.42 |
| Molecular Formula: | C22 H24 N3 O8 P |
| Smiles: | CCOP(c1c(NCc2ccc3c(c2)OCO3)oc(Cc2ccc(cc2)[N+]([O-])=O)n1)(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.352 |
| logD: | 3.352 |
| logSw: | -3.7094 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.112 |
| InChI Key: | QOSFFYQWSQLSEX-UHFFFAOYSA-N |