3-(3-bromophenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-bromophenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-bromophenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0123 |
| Compound Name: | 3-(3-bromophenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 389.25 |
| Molecular Formula: | C18 H17 Br N2 O3 |
| Smiles: | CC12CC(c3cccc(c3O2)OC)NC(N1c1cccc(c1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1065 |
| logD: | 4.1065 |
| logSw: | -4.4732 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.391 |
| InChI Key: | KBQBZOXVCFBVJC-UHFFFAOYSA-N |