4-[2-amino-3-cyano-5-(methoxycarbonyl)-6-(methoxymethyl)-4H-pyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-[2-amino-3-cyano-5-(methoxycarbonyl)-6-(methoxymethyl)-4H-pyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
4-[2-amino-3-cyano-5-(methoxycarbonyl)-6-(methoxymethyl)-4H-pyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8012-0114 |
| Compound Name: | 4-[2-amino-3-cyano-5-(methoxycarbonyl)-6-(methoxymethyl)-4H-pyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate |
| Molecular Weight: | 518.48 |
| Molecular Formula: | C23 H26 N4 O10 |
| Smiles: | CCOc1cc(cc(c1OC(N1CCOCC1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC(COC)=C1C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1141 |
| logD: | 1.1141 |
| logSw: | -1.9052 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 147.454 |
| InChI Key: | YFSXZXJOTCVKIY-GOSISDBHSA-N |