3-(3,4-dimethoxyphenyl)-11-(4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-11-(4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3490-5456 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 494.55 |
| Molecular Formula: | C30 H26 N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(C3=COc4ccccc4C3=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5351 |
| logD: | 4.4266 |
| logSw: | -4.5499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.631 |
| InChI Key: | BCVNRUWVBAVXIF-UHFFFAOYSA-N |