1-methyl-4-nitro-7-(prop-2-en-1-yl)-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Chemical Structure Depiction of
1-methyl-4-nitro-7-(prop-2-en-1-yl)-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
1-methyl-4-nitro-7-(prop-2-en-1-yl)-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine
Compound characteristics
| Compound ID: | 8018-0689 |
| Compound Name: | 1-methyl-4-nitro-7-(prop-2-en-1-yl)-1H-benzo[b]furo[4,3,2-ef][1]benzoxepine |
| Molecular Weight: | 321.33 |
| Molecular Formula: | C19 H15 N O4 |
| Smiles: | CC1C2=Cc3cccc(CC=C)c3Oc3cc(cc(c23)O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1679 |
| logD: | 5.1679 |
| logSw: | -5.2706 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.466 |
| InChI Key: | HPQVBLAIMIUFKG-LLVKDONJSA-N |