3-(2-ethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(2-ethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(2-ethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0235 |
| Compound Name: | 3-(2-ethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 369.38 |
| Molecular Formula: | C19 H19 N3 O5 |
| Smiles: | CCOc1ccccc1N1C(NC2CC1(C)Oc1ccc(cc12)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7135 |
| logD: | 3.7134 |
| logSw: | -4.0272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.368 |
| InChI Key: | HVCHTSBUUPXZAX-UHFFFAOYSA-N |