3-(3-chloro-4-methoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-chloro-4-methoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-chloro-4-methoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0221 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 389.79 |
| Molecular Formula: | C18 H16 Cl N3 O5 |
| Smiles: | CC12CC(c3cc(ccc3O2)[N+]([O-])=O)NC(N1c1ccc(c(c1)[Cl])OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7662 |
| logD: | 3.7661 |
| logSw: | -4.2967 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.089 |
| InChI Key: | ZQGJRGNZDUEZQE-UHFFFAOYSA-N |