methyl 11-{3-ethoxy-4-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8016-6182 |
| Compound Name: | methyl 11-{3-ethoxy-4-[(propan-2-yl)oxy]phenyl}-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C27 H32 N2 O5 |
| Smiles: | CCOc1cc(ccc1OC(C)C)C1C2=C(CC(C)C(C2=O)C(=O)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1962 |
| logD: | 4.1925 |
| logSw: | -4.2259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.92 |
| InChI Key: | YYEHPEMJAVSDMI-UHFFFAOYSA-N |