3-(2-chlorophenyl)-11-(6-methyl-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-(2-chlorophenyl)-11-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(2-chlorophenyl)-11-(6-methyl-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: | 3999-6321 |
| Compound Name: | 3-(2-chlorophenyl)-11-(6-methyl-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: | 482.97 |
| Molecular Formula: | C29 H23 Cl N2 O3 |
| Smiles: | Cc1ccc2c(c1)C(C(=CO2)C1C2=C(CC(CC2=O)c2ccccc2[Cl])Nc2ccccc2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9184 |
| logD: | 5.8099 |
| logSw: | -5.938 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.37 |
| InChI Key: | GTIJUYRURIFXCS-UHFFFAOYSA-N |