2-methyl-3-(4-methylphenyl)-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-3-(4-methylphenyl)-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-3-(4-methylphenyl)-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-0242 |
| Compound Name: | 2-methyl-3-(4-methylphenyl)-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C18 H17 N3 O4 |
| Smiles: | Cc1ccc(cc1)N1C(NC2CC1(C)Oc1ccc(cc12)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8143 |
| logD: | 3.8143 |
| logSw: | -4.0128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.458 |
| InChI Key: | BVRCWSNTUBSZJC-UHFFFAOYSA-N |