3-(5-chloro-2-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-(5-chloro-2-methylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(5-chloro-2-methylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0234 |
| Compound Name: | 3-(5-chloro-2-methylphenyl)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 373.79 |
| Molecular Formula: | C18 H16 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1N1C(NC2CC1(C)Oc1ccc(cc12)[N+]([O-])=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5508 |
| logD: | 4.5505 |
| logSw: | -4.8287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.157 |
| InChI Key: | UHGLJKRBYOWEJL-UHFFFAOYSA-N |