4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate
Chemical Structure Depiction of
4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate
4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate
Compound characteristics
| Compound ID: | K813-0028 |
| Compound Name: | 4-(1-oxo-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)phenyl acetate |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C27 H24 N2 O3 |
| Smiles: | CC(=O)Oc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7605 |
| logD: | 4.7442 |
| logSw: | -4.5078 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.228 |
| InChI Key: | FZRAUYYWPSUJTA-UHFFFAOYSA-N |