methyl 11-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
methyl 11-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-6838 |
| Compound Name: | methyl 11-(3-ethoxy-4-hydroxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C24 H26 N2 O5 |
| Smiles: | CCOc1cc(ccc1O)C1C2=C(CC(C)C(C2=O)C(=O)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4354 |
| logD: | 3.4317 |
| logSw: | -3.3798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.579 |
| InChI Key: | CFFSWIJKYJMZAO-UHFFFAOYSA-N |