5-(5-bromofuran-2-carbonyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
5-(5-bromofuran-2-carbonyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
5-(5-bromofuran-2-carbonyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1199 |
| Compound Name: | 5-(5-bromofuran-2-carbonyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 467.32 |
| Molecular Formula: | C23 H19 Br N2 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccc(o1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8574 |
| logD: | 4.8574 |
| logSw: | -4.7514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.117 |
| InChI Key: | XKWBEXYRQJZIQK-UHFFFAOYSA-N |