2-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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-[2-(cyclohex-1-en-1-yl)ethyl]-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: | K784-5425 |
| Compound Name: | 2-[2-(cyclohex-1-en-1-yl)ethyl]-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: | 539.68 |
| Molecular Formula: | C33 H37 N3 O4 |
| Smiles: | Cc1ccc(cc1)C1C(NCC23C=CC(C(C2C(N1CCC1CCCCC=1)=O)C(Nc1ccc(C)cc1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0928 |
| logD: | 5.0925 |
| logSw: | -4.8697 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.918 |
| InChI Key: | LXVREWGNJDINHP-UHFFFAOYSA-N |