3-(3-ethylphenyl)-2-methyl-5-(2-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
3-(3-ethylphenyl)-2-methyl-5-(2-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
3-(3-ethylphenyl)-2-methyl-5-(2-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1221 |
| Compound Name: | 3-(3-ethylphenyl)-2-methyl-5-(2-methylbenzoyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C27 H26 N2 O3 |
| Smiles: | CCc1cccc(c1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccccc1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6746 |
| logD: | 5.6746 |
| logSw: | -5.5133 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | IKPSHQRLFRRLSW-UHFFFAOYSA-N |