N,3-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-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
N,3-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide
N,3-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-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: | K784-6265 |
| Compound Name: | N,3-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-1,4-dioxo-1,3,4,5,6,9,10,10a-octahydro-2H-6a,9-epoxy-2,5-benzodiazocine-10-carboxamide |
| Molecular Weight: | 578.45 |
| Molecular Formula: | C30 H25 Cl2 N3 O5 |
| Smiles: | COc1ccc(cc1)N1C(C(NCC23C=CC(C(C2C1=O)C(Nc1ccc(cc1)[Cl])=O)O3)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.667 |
| logD: | 4.652 |
| logSw: | -5.1754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.68 |
| InChI Key: | HRFRXKYYJCCFJN-UHFFFAOYSA-N |