methyl 11-(3-bromo-4-ethoxy-5-methoxyphenyl)-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-bromo-4-ethoxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-6848 |
| Compound Name: | methyl 11-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 515.4 |
| Molecular Formula: | C25 H27 Br N2 O5 |
| Smiles: | CCOc1c(cc(cc1[Br])C1C2=C(CC(C)C(C2=O)C(=O)OC)Nc2ccccc2N1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6306 |
| logD: | 4.6269 |
| logSw: | -4.3348 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.748 |
| InChI Key: | CNGZIZNNVJIDBZ-UHFFFAOYSA-N |