methyl 11-{3-methoxy-2-[(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-methoxy-2-[(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-methoxy-2-[(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: | 8016-6189 |
| Compound Name: | methyl 11-{3-methoxy-2-[(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: | 450.53 |
| Molecular Formula: | C26 H30 N2 O5 |
| Smiles: | CC1CC2=C(C(c3cccc(c3OC(C)C)OC)Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2612 |
| logD: | 4.2575 |
| logSw: | -4.4118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.427 |
| InChI Key: | FGGYJJIADFVKEI-UHFFFAOYSA-N |