3-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(2-methoxy-5-methylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0247 |
| Compound Name: | 3-(2-methoxy-5-methylphenyl)-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: | Cc1ccc(c(c1)N1C(NC2CC1(C)Oc1ccc(cc12)[N+]([O-])=O)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7275 |
| logD: | 3.7275 |
| logSw: | -4.1028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.788 |
| InChI Key: | UZWGOHUYTJBVQY-UHFFFAOYSA-N |