methyl 3-methyl-1-oxo-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Chemical Structure Depiction of
methyl 3-methyl-1-oxo-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
methyl 3-methyl-1-oxo-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-7700 |
| Compound Name: | methyl 3-methyl-1-oxo-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-2-carboxylate |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C25 H28 N2 O4 |
| Smiles: | CC1CC2=C(C(c3ccccc3OC(C)C)Nc3ccccc3N2)C(C1C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3683 |
| logD: | 4.3646 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.71 |
| InChI Key: | BFKQYVFCLFCYNH-UHFFFAOYSA-N |