ethyl 3-(morpholin-4-yl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 3-(morpholin-4-yl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
ethyl 3-(morpholin-4-yl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | 8019-3552 |
| Compound Name: | ethyl 3-(morpholin-4-yl)-7-nitro-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 347.33 |
| Molecular Formula: | C16 H17 N3 O6 |
| Smiles: | CCOC(C1=C(NC(c2cc(ccc12)[N+]([O-])=O)=O)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5873 |
| logD: | 1.3408 |
| logSw: | -2.5469 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.436 |
| InChI Key: | UMYUQDRNKIEQSL-UHFFFAOYSA-N |