2-methyl-8-nitro-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-8-nitro-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-8-nitro-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0238 |
| Compound Name: | 2-methyl-8-nitro-3-(3,4,5-trimethoxyphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 415.4 |
| Molecular Formula: | C20 H21 N3 O7 |
| Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1525 |
| logD: | 3.1525 |
| logSw: | -3.5307 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.436 |
| InChI Key: | SHBCXEOFDCFFQV-UHFFFAOYSA-N |