methyl 11-(4-hydroxy-3-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-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(4-hydroxy-3-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: | 8013-2806 |
| Compound Name: | methyl 11-(4-hydroxy-3-methoxyphenyl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 408.45 |
| Molecular Formula: | C23 H24 N2 O5 |
| Smiles: | CC1CC2=C(C(c3ccc(c(c3)OC)O)Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9166 |
| logD: | 2.9129 |
| logSw: | -3.3353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.999 |
| InChI Key: | SMBZXELZRDVSAT-UHFFFAOYSA-N |