2-[(4-chlorophenyl)methyl]-N,3-bis(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)methyl]-N,3-bis(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
2-[(4-chlorophenyl)methyl]-N,3-bis(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
Compound characteristics
| Compound ID: | K784-5424 |
| Compound Name: | 2-[(4-chlorophenyl)methyl]-N,3-bis(4-methylphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide |
| Molecular Weight: | 556.06 |
| Molecular Formula: | C32 H30 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1)C1C(NCC23C=CC(C(C2C(N1Cc1ccc(cc1)[Cl])=O)C(Nc1ccc(C)cc1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9625 |
| logD: | 4.9622 |
| logSw: | -5.233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.747 |
| InChI Key: | SHRMZKYPHPEXAI-UHFFFAOYSA-N |