3-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0241 |
| Compound Name: | 3-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 419.82 |
| Molecular Formula: | C19 H18 Cl N3 O6 |
| Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1cc(c(cc1OC)OC)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1437 |
| logD: | 4.1437 |
| logSw: | -4.6412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.418 |
| InChI Key: | MOLTWQSIGHLFKA-UHFFFAOYSA-N |