ethyl 3-oxo-1,2,3,7,8,12b-hexahydro[1,4]diazepino[2,1-a]isoquinoline-5-carboxylate
Chemical Structure Depiction of
ethyl 3-oxo-1,2,3,7,8,12b-hexahydro[1,4]diazepino[2,1-a]isoquinoline-5-carboxylate
ethyl 3-oxo-1,2,3,7,8,12b-hexahydro[1,4]diazepino[2,1-a]isoquinoline-5-carboxylate
Compound characteristics
| Compound ID: | 8020-5960 |
| Compound Name: | ethyl 3-oxo-1,2,3,7,8,12b-hexahydro[1,4]diazepino[2,1-a]isoquinoline-5-carboxylate |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C16 H18 N2 O3 |
| Smiles: | CCOC(C1=CC(NCC2c3ccccc3CCN12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.133 |
| logD: | 2.1306 |
| logSw: | -2.4739 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.872 |
| InChI Key: | UJCCAFWXHZPCJC-CQSZACIVSA-N |