11-(4-oxo-4H-1-benzopyran-3-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-oxo-4H-1-benzopyran-3-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-oxo-4H-1-benzopyran-3-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8010-8441 |
| Compound Name: | 11-(4-oxo-4H-1-benzopyran-3-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C28 H22 N2 O3 |
| Smiles: | C1C(CC(C2C(C3=COc4ccccc4C3=O)Nc3ccccc3NC1=2)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.043 |
| logD: | 4.9345 |
| logSw: | -4.8832 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.37 |
| InChI Key: | KKFOCULDYZFJPV-UHFFFAOYSA-N |