4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate
Compound characteristics
| Compound ID: | 8012-0138 |
| Compound Name: | 4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl morpholine-4-carboxylate |
| Molecular Weight: | 550.52 |
| Molecular Formula: | C27 H26 N4 O9 |
| Smiles: | CCOc1cc(cc(c1OC(N1CCOCC1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4459 |
| logD: | 2.4459 |
| logSw: | -3.1059 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 138.878 |
| InChI Key: | DRBHPCQKMPGMQP-UHFFFAOYSA-N |