3-(4-fluorophenyl)-2-methyl-5-(3,4,5-trimethoxybenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-2-methyl-5-(3,4,5-trimethoxybenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(4-fluorophenyl)-2-methyl-5-(3,4,5-trimethoxybenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C298-0031 |
| Compound Name: | 3-(4-fluorophenyl)-2-methyl-5-(3,4,5-trimethoxybenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 492.5 |
| Molecular Formula: | C27 H25 F N2 O6 |
| Smiles: | CC12CC(c3ccccc3O2)N(C(c2cc(c(c(c2)OC)OC)OC)=O)C(N1c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0545 |
| logD: | 4.0545 |
| logSw: | -4.3434 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.169 |
| InChI Key: | HUKNWEQUPDWBMO-UHFFFAOYSA-N |