3-(3-ethylphenyl)-5-(4-fluorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-ethylphenyl)-5-(4-fluorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-ethylphenyl)-5-(4-fluorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-0781 |
| Compound Name: | 3-(3-ethylphenyl)-5-(4-fluorobenzoyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C26 H23 F N2 O3 |
| Smiles: | CCc1cccc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccc(cc1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2284 |
| logD: | 5.2284 |
| logSw: | -5.1021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | WKDQBWBKWTXVJQ-UHFFFAOYSA-N |