11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3607-5709 |
| Compound Name: | 11-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 528.99 |
| Molecular Formula: | C30 H25 Cl N2 O5 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(C3=COc4ccc(cc4C3=O)[Cl])Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2176 |
| logD: | 5.1091 |
| logSw: | -5.7071 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.631 |
| InChI Key: | LWJVUWUMGLWPQZ-UHFFFAOYSA-N |