2-ethoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl cyclohexanecarboxylate
Chemical Structure Depiction of
2-ethoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl cyclohexanecarboxylate
2-ethoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl cyclohexanecarboxylate
Compound characteristics
| Compound ID: | 5991-0768 |
| Compound Name: | 2-ethoxy-4-[3-(4-methylphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl cyclohexanecarboxylate |
| Molecular Weight: | 550.7 |
| Molecular Formula: | C35 H38 N2 O4 |
| Smiles: | CCOc1cc(ccc1OC(C1CCCCC1)=O)C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3865 |
| logD: | 7.3702 |
| logSw: | -5.6009 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.343 |
| InChI Key: | GFDYQILSERCGFQ-UHFFFAOYSA-N |