methyl 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-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-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8013-2725 |
| Compound Name: | methyl 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-methyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 485.33 |
| Molecular Formula: | C23 H21 Br N2 O5 |
| Smiles: | CC1CC2=C(C(c3cc4c(cc3[Br])OCO4)Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0527 |
| logD: | 4.0501 |
| logSw: | -4.1619 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.936 |
| InChI Key: | OLAPMLVTMVPNMP-UHFFFAOYSA-N |