5-(4-chlorobenzoyl)-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-(4-chlorobenzoyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
5-(4-chlorobenzoyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-1206 |
| Compound Name: | 5-(4-chlorobenzoyl)-2-methyl-3-(4-methylphenyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C25 H21 Cl N2 O3 |
| Smiles: | Cc1ccc(cc1)N1C(N(C2CC1(C)Oc1ccccc12)C(c1ccc(cc1)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3285 |
| logD: | 5.3285 |
| logSw: | -6.0018 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.191 |
| InChI Key: | HYZJTXYODXKMBU-UHFFFAOYSA-N |